SCHEMBL7464907

SCHEMBL7464907

COc1ccccc1C1(C(=O)O)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
AKR1C1 Q04828 1/20 0.55
SIGMAR1 Q99720 1/20 0.49
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
APP P05067 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
SELP P16109 3/20 0.44
SELL P14151 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL3443849 0.97 L3MBTL1 (0.51) L3MBTL1AKR1C1SIGMAR1HTTLMNA
SCHEMBL1465128 0.95 SIGMAR1 (0.50) L3MBTL1AKR1C1SIGMAR1HTTLMNA
SCHEMBL30683848 0.85 L3MBTL1 (0.54) L3MBTL1SIGMAR1HTTLMNAKMT2A
SCHEMBL7457587 0.85 L3MBTL1 (0.54) L3MBTL1SIGMAR1HTTLMNAKMT2A
SCHEMBL21034068 0.83 L3MBTL1 (0.49) L3MBTL1AKR1C1SIGMAR1HTTLMNA
SCHEMBL30039438 0.83 L3MBTL1 (0.49) L3MBTL1AKR1C1SIGMAR1HTTLMNA
SCHEMBL11642260 0.82 L3MBTL1 (0.50) L3MBTL1AKR1C1KMT2AMEN1ALDH1A1
SCHEMBL16132817 0.82 HDAC4 (0.65) L3MBTL1HDAC3HDAC1HDAC2HDAC6
SCHEMBL8110630 0.81 SIGMAR1 (0.47) L3MBTL1SIGMAR1HTTLMNAAPP
SCHEMBL21034824 0.81 SIGMAR1 (0.47) L3MBTL1SIGMAR1HTTLMNAAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed