SCHEMBL6070232

SCHEMBL6070232

Cc1ccc(CC(=O)O)c(CC(=O)O)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GLA P06280 1/20 0.44
▸ STING1 Q86WV6 1/20 0.44
▸ SRC P12931 1/20 0.43
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ AKR1B1 P15121 2/20 0.41
▸ RXRG P48443 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX15 P16050 2/20 0.39

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
SCHEMBL6258640 0.85 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP3A4CYP2C19GLA
SCHEMBL1258872 0.85 CYP1A2 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2C19GLA
SCHEMBL1257818 0.83 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2C19GLA
Ammonia Solution, Strong SCHEMBL28714250 0.82 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2C19GLA
SCHEMBL28725005 0.78 AKR1B1 (0.57) SMN1; SMN2CYP1A2CYP3A4CYP2C19GLA
SCHEMBL128869 0.78 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2C19GLA
SCHEMBL11741944 0.78 SRC (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2C19GLA
SCHEMBL11443283 0.77 CYP1A2 (0.44) SMN1; SMN2CYP1A2CYP3A4CYP2C19GLA
SCHEMBL7911305 0.76 PTGS2 (0.56) SMN1; SMN2CYP1A2CYP3A4CYP2C19GLA
SCHEMBL6384650 0.76 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2C19GLA

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
US-20170255100-A1 DRY FILM STRUCTURE FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2017-09-07 — — US disclosed
US-7034055-B1 2-aminoindane analogs PRESCIENT NEUROPHARMA INC. (CA) 2006-04-25 — — US disclosed
EP-1194400-A1 2-AMINOINDANE ANALOGS Prescient Neuropharma Inc. (CA) 2002-04-10 — — EP disclosed
WO-2001002342-A1 2-AMINOINDANE ANALOGS IGT PHARMA INC. (CA) 2001-01-11 — — WO disclosed
Send feedback