SCHEMBL3384290

SCHEMBL3384290

NCC(CCC(=O)O)(C[PH](=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
THRB P10828 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.32
GABRR1 P24046 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
HDAC3 O15379 1/20 0.31
GABBR2 O75899 1/20 0.31
LMNA P02545 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRR2 P28476 1/20 0.31
SLC6A1 P30531 1/20 0.31

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
SCHEMBL3382432 0.74 SMN1; SMN2 (0.41) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3381675 0.70 MAPT (0.50) HDAC3LMNATSHRHDAC4HDAC1
SCHEMBL29164211 0.66 ALDH1A1 (0.42) CYP1A2THRBKMT2AMEN1ALDH1A1
SCHEMBL5792177 0.66 MEN1 (0.38) CYP1A2THRBKMT2AMEN1ALDH1A1
SCHEMBL9495250 0.65 ALDH1A1 (0.56) CYP1A2THRBKMT2AMEN1ALDH1A1
SCHEMBL6584835 0.65 LMNA (0.40) CYP1A2THRBKMT2AMEN1ALDH1A1
SCHEMBL2354062 0.65 CAMK2A (0.42) CYP1A2THRBKMT2AMEN1ALDH1A1
SCHEMBL83753 0.65 ALDH1A1 (0.56) CYP1A2THRBKMT2AMEN1ALDH1A1
SCHEMBL7793722 0.64 MEN1 (0.55) CYP1A2THRBKMT2AMEN1ALDH1A1
SCHEMBL5051153 0.63 FOLH1 (0.42) CYP1A2THRBKMT2AMEN1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880112-A PHOSPHINIC ACID DERIVATIVES; PROSTATE CANCER TREATMENT GUILFORD PHARMACEUTICALS INC. (US) 1999-03-09 US claimed
EP-1443954-B1 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES SCRIPPS RESEARCH INST (US) 2010-11-24 EP disclosed
US-7399743-B2 Targeted thrombosis THE SCRIPPS RESEARCH INSTITUTE (US) 2008-07-15 US disclosed
EP-1443954-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES Novartis Pharma GmbH (AT) 2004-08-11 EP disclosed
US-20030194400-A1 Targeted thrombosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-16 US disclosed
WO-2003035688-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES NOVARTIS PHARMA GMBH (AT) 2003-05-01 WO disclosed