SCHEMBL487425

SCHEMBL487425

N[C@@H](c1ccccc1)[C@@H](O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.56
LMNA P02545 4/20 0.54
MAPK1 P28482 1/20 0.54
CYP2D6 P10635 1/20 0.50
SRC P12931 1/20 0.50
HIF1A Q16665 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5860807 1.00 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL939043 1.00 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL4073511 1.00 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL939042 1.00 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL8058962 1.00 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL6027457 0.98 DPP4 (0.54) DPP4LMNAMAPK1CYP2D6SRC
Hydrochloric Acid SCHEMBL5860803 0.98 DPP4 (0.54) DPP4LMNAMAPK1CYP2D6SRC
Hydrochloric Acid SCHEMBL8073692 0.98 DPP4 (0.54) DPP4LMNAMAPK1CYP2D6SRC
Hydrochloric Acid SCHEMBL3184809 0.98 DPP4 (0.54) DPP4LMNAMAPK1CYP2D6SRC
Cadaverine Tartrate SCHEMBL30110790 0.91 DPP4 (0.64) DPP4LMNAMAPK1CYP2D6SRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 246 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107188895-B C-13 and C-14 site structure modified taxol compounds and preparation method thereof 上海大学 2020-03-13 CN claimed
WO-2012118318-A2 MICROORGANISM FOR PRODUCING NON-NATURAL AMINO ACIDS, AND METHOD FOR PRODUCING NON-NATRUAL AMINO ACIDS USING SAME 이화여자대학교 산학협력단 (KR) 2012-09-07 WO claimed
WO-2010059916-A2 PREPARATION OF DOCETAXEL DR. REDDY'S LABORATORIES LTD. (IN) 2010-05-27 WO claimed
EP-1961735-B1 Process for the preparation of (2r,3s)-3-phenylisoserine methyl ester acetate salt INDENA SPA (IT) 2009-11-18 EP claimed
EP-0935596-B1 METHOD FOR PACLITAXEL SYNTHESIS NAPRO BIOTHERAPEUTICS INC (US) 2005-02-02 EP claimed
EP-0603176-B2 beta-PHENYLISOSERINE-(2R,3S), SALTS, PREPARATION AND USE THEREOF AVENTIS PHARMA SA (FR) 2003-06-18 EP claimed
EP-0837846-B1 C-2' HYDROXYL-BENZYL PROTECTED, N-CARBAMATE PROTECTED (2R,3S)-3-PHENYLISOSERINE AND PRODUCTION PROCESS THEREFOR NAPRO BIOTHERAPEUTICS INC (US) 2001-11-07 EP claimed
EP-1049686-A1 INTERMEDIATES AND METHODS USEFUL IN THE SEMISYNTHESIS OF PACLITAXEL AND ANALOGS INDENA S.p.A. (IT) 2000-11-08 EP claimed
EP-0935596-A4 METHOD FOR PACLITAXEL SYNTHESIS NAPRO BIOTHERAPEUTICS INC (US) 1999-10-27 EP claimed
EP-0935596-A1 METHOD FOR PACLITAXEL SYNTHESIS NAPRO BIOTHERAPEUTICS, INC. (US) 1999-08-18 EP claimed
US-5359124-A Reacting benzylamine with cis-beta-phenylglycidic acid yields intermediate for anticarcinogenic taxol derivatives AVENTIS PHARMA S.A. (FR) 1994-10-25 US claimed
EP-0515540-B1 DERIVATIVE OF BETA-PHENYLISOSERINE, PREPARATION AND UTILISATION THEREOF RHONE POULENC RORER SA (FR) 1994-07-06 EP claimed
EP-0603176-A1 -g(b)-PHENYLISOSERINE-(2R,3S), SALTS, PREPARATION AND USE THEREOF. RHONE POULENC RORER SA (FR) 1994-06-29 EP claimed
US-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 US claimed
EP-0336840-B1 Process for the preparation of taxol CENTRE NAT RECH SCIENT (FR) 1993-11-18 EP claimed
EP-0603176-A4 -g(b)-PHENYLISOSERINE-(2R,3S), SALTS, PREPARATION AND USE THEREOF. RHONE POULENC RORER SA (FR) 1993-09-17 EP claimed
EP-0515540-A1 DERIVATIVE OF BETA-PHENYLISOSERINE, PREPARATION AND UTILISATION THEREOF. RHONE POULENC RORER SA (FR) 1992-12-02 EP claimed
WO-1992012958-A1 β-PHENYLISOSERINE-(2R,3S), SALTS, PREPARATION AND USE THEREOF RHONE-POULENC RORER S.A. (FR) 1992-08-06 WO claimed
EP-0495718-A1 Beta-phenylisoserine-(2R,3S), salts, preparation and use thereof Aventis Pharma S.A. (FR) 1992-07-22 EP claimed
WO-1991013053-A1 DERIVATIVE OF β-PHENYLISOSERINE, PREPARATION AND UTILISATION THEREOF RHONE-POULENC RORER S.A. (FR) 1991-09-05 WO claimed