SCHEMBL6941541

SCHEMBL6941541

C/C=C(/CC)N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
MGLL Q99685 3/20 0.36
FBP1 P09467 2/20 0.36
KDM4A O75164 1/20 0.36
F2 P00734 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PHGDH O43175 1/20 0.35
ALDH2 P05091 1/20 0.35
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL6941543 1.00 L3MBTL1 (0.37) L3MBTL1MGLLFBP1KDM4AF2
SCHEMBL11793406 0.97 F2 (0.40) L3MBTL1MGLLFBP1KDM4AF2
SCHEMBL11793410 0.97 F2 (0.40) L3MBTL1MGLLFBP1KDM4AF2
SCHEMBL3311147 0.82 L3MBTL1 (0.33) L3MBTL1MGLLFBP1KDM4AF2
SCHEMBL3311150 0.82 L3MBTL1 (0.33) L3MBTL1MGLLFBP1KDM4AF2
SCHEMBL3307989 0.80 F2 (0.36) L3MBTL1MGLLFBP1KDM4AF2
SCHEMBL3307979 0.80 F2 (0.36) L3MBTL1MGLLFBP1KDM4AF2
SCHEMBL25714643 0.79 L3MBTL1 (0.31) L3MBTL1MGLLFBP1KDM4AF2
SCHEMBL22691650 0.79 L3MBTL1 (0.35) L3MBTL1MGLLFBP1KDM4AF2
SCHEMBL24229621 0.77 HTT (0.45) L3MBTL1MGLLALDH1A1PHGDHALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP disclosed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US disclosed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP disclosed
EP-0367598-B1 NOVEL PROCESS FOR THE PRODUCTION OF 4,6-DIMETHYL-7-HYDROXYNONAN-3-ONE Philip Morris Products Inc. (US) 1993-09-01 EP disclosed
US-4925985-A GRIGNARD REACTION, REDUCTION, CATALYSIS PHILIP MORRIS INCORPORATED (US) 1990-05-15 US disclosed
EP-0367598-A2 Novel process for the production of 4,6-dimethyl-7-hydroxynonan-3-one Philip Morris Products Inc. (US) 1990-05-09 EP disclosed
EP-0147915-B1 NEW AZULENE DERIVATIVES USEFUL AS ANTI-ULCERATIVE AND ANTI-FLAMMATORY AGENTS Kotobuki Seiyaku Co., Ltd. (JP) 1987-05-06 EP disclosed
US-4595694-A Peptic ulcer treatment KOTOBUKI SEIYAKU CO. LTD. (JP) 1986-06-17 US disclosed
EP-0147915-A1 New azulene derivatives useful as anti-ulcerative and anti-flammatory agents Kotobuki Seiyaku Co., Ltd. (JP) 1985-07-10 EP disclosed
US-4479007-A Chroman-4-ones and process for preparing same BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
EP-0053756-B1 2,6-DIETHYL-3,5-DIMETHYL-2,3-DIHYDRO-4H-PYRAN, PROCESS FOR ITS PREPARATION AND ITS USE IN THE EARLY IDENTIFICATION AND LOCATION OF AND IN COMBATING LASIODERMA SERRICORNE F B.A.T. Cigarettenfabriken GmbH (DE) 1984-09-12 EP disclosed
US-4415741-A REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE BAYER AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
EP-0053756-A1 2,6-Diethyl-3,5-dimethyl-2,3-dihydro-4H-pyran, process for its preparation and its use in the early identification and location of and in combating Lasioderma serricorne F B.A.T. Cigarettenfabriken GmbH (DE) 1982-06-16 EP disclosed
US-4188341-A Process for the production of (substituted) 2,6-dimethylanilines CIBA-GEIGY CORPORATION (US) 1980-02-12 US disclosed