SCHEMBL7813104

SCHEMBL7813104

CCCCc1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.81
THRA P10827 9/20 0.62
THRB P10828 9/20 0.62
HSD17B10 Q99714 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 1/20 0.61
RARB P10826 2/20 0.60
KMT2A Q03164 1/20 0.58
HAO1 Q9UJM8 1/20 0.56
PLK1 P53350 1/20 0.56
MMP2 P08253 1/20 0.55
MMP12 P39900 1/20 0.55

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
SCHEMBL3135443 0.95 L3MBTL1 (0.78) L3MBTL1THRATHRBALDH1A1RARB
SCHEMBL3145220 0.93 L3MBTL1 (0.76) L3MBTL1THRATHRBALDH1A1RARB
SCHEMBL9356282 0.93 L3MBTL1 (0.76) L3MBTL1THRATHRBALDH1A1RARB
SCHEMBL3130654 0.93 L3MBTL1 (0.76) L3MBTL1THRATHRBALDH1A1RARB
SCHEMBL9815969 0.93 L3MBTL1 (0.76) L3MBTL1THRATHRBALDH1A1RARB
SCHEMBL3145641 0.93 L3MBTL1 (0.76) L3MBTL1THRATHRBALDH1A1RARB
SCHEMBL10523939 0.93 L3MBTL1 (0.76) L3MBTL1THRATHRBALDH1A1RARB
SCHEMBL30089476 0.93 THRA (0.70) L3MBTL1THRATHRBHSD17B10ALDH1A1
Butylbenzyl SCHEMBL8119801 0.92 L3MBTL1 (0.69) L3MBTL1THRATHRBALDH1A1RARB
SCHEMBL8754744 0.91 L3MBTL1 (0.71) L3MBTL1THRATHRBALDH1A1RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-4871771-A PHENYL SUBSTITUTED-DITHIA-ALKANEDIOIC ACIDS SMITHKLINE BECKMAN CORPORATION (US) 1989-10-03 US disclosed
EP-0327306-A2 Leukotriene B4 antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-08-09 EP disclosed
US-4730005-A DITHIA-ALKANEDIOIC ACIDS SMITHKLINE BECKMAN CORPORATION (US) 1988-03-08 US disclosed
EP-0253501-A2 N-disubstituted cycloalkylmethyl amines useful as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP disclosed
EP-0251466-A2 Chemical process for the preparation of esters of substituted cyclopropyl caboxylic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-07 EP disclosed
EP-0168902-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1987-09-30 EP disclosed
EP-0168902-A1 Leukotriene antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-01-22 EP disclosed