SCHEMBL5259290

SCHEMBL5259290

CC(C)c1ccc[c]c1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.35
GABRA1 P14867 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
FAAH O00519 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL3057169 0.74 HSD11B1 (0.33) L3MBTL1
SCHEMBL15415279 0.74 KEAP1 (0.34) L3MBTL1CA1CA2HPGDTSHR
SCHEMBL3414041 0.72 CYP3A4 (0.36) L3MBTL1CA1CA2CYP3A4TSHR
SCHEMBL1116655 0.72 ALDH1A1 (0.33) PTGS1
SCHEMBL1828766 0.72 HSD11B1 (0.33) LMNATSHR
SCHEMBL11567025 0.72 CA1 (0.34) CA1CA2
SCHEMBL6013934 0.69 GABRA1 (0.41) L3MBTL1GABRA1CA1CA2GABRB2
SCHEMBL159454 0.69 GABRA1 (0.41) L3MBTL1GABRA1CA1CA2GABRB2
SCHEMBL27699892 0.68 PNMT (0.32)
SCHEMBL6642296 0.68 PTGS2 (0.52) LMNACYP1A2CYP3A4HPGDPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781652-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH TETRAHYDROPYRIDINE AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-09 EP disclosed
WO-2006001501-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH TETRAHYDROPYRIDINE AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 WO disclosed