SCHEMBL9364409

SCHEMBL9364409

COc1cc2ccc(SCC(=O)O)cc2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PPARD Q03181 1/20 0.47
CTSB P07858 1/20 0.46
ELANE P08246 1/20 0.46
DUSP3 P51452 1/20 0.46
FFAR1 O14842 1/20 0.46
GRK6 P43250 5/20 0.45
APEX1 P27695 1/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL342810 0.88 ALDH1A1 (0.53) ALDH1A1MAPTLMNARXFP1CTSB
SCHEMBL9360064 0.85 ALDH1A1 (0.47) ALDH1A1MAPTLMNARXFP1PPARD
SCHEMBL9360247 0.84 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPPARDCTSB
SCHEMBL9365316 0.81 NCEH1 (0.47) ALDH1A1LMNACTSBELANEDUSP3
SCHEMBL10441459 0.81 GAA (0.55) ALDH1A1CTSBELANEDUSP3FFAR1
SCHEMBL9862895 0.80 POLB (0.48) ALDH1A1PPARDFFAR1GAASMN1; SMN2
SCHEMBL9360631 0.80 ALDH1A1 (0.55) ALDH1A1MAPTLMNARXFP1CTSB
SCHEMBL16492192 0.79 GRK6 (0.49) ALDH1A1MAPTPPARDCTSBELANE
SCHEMBL9360274 0.79 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPPARDCTSB
SCHEMBL1420805 0.78 ANPEP (0.67) ALDH1A1MAPTLMNARXFP1CTSB

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-0419676-B1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LTD (JP) 1994-12-07 EP disclosed
EP-0419676-A1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LIMITED (JP) 1991-04-03 EP disclosed