SCHEMBL6782115

SCHEMBL6782115

CCC(Sc1ccc(O)cc1)(C(=O)O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.37
HDAC2 Q92769 6/20 0.35
HDAC3 O15379 5/20 0.35
HDAC1 Q13547 5/20 0.35
ERN1 O75460 1/20 0.35
PTPN1 P18031 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HPGDS O60760 1/20 0.35
CHRM4 P08173 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL6787397 0.82 ADAM17 (0.39) FFAR1PPARGPPARA
SCHEMBL6786562 0.77 HSP90AA1 (0.40) HDAC2HDAC3HDAC1
SCHEMBL6784818 0.77 ESR1 (0.42) PPARA
SCHEMBL6786095 0.77 ESR1 (0.39) HDAC2HDAC3HDAC1
SCHEMBL6785281 0.75 ESR2 (0.40) LTA4H
SCHEMBL6785959 0.73 KIF11 (0.39)
SCHEMBL1062982 0.70 LTA4H (0.57) HDAC2ERN1LTA4H
SCHEMBL28905907 0.69 HDAC2 (0.47) FFAR1HDAC2HDAC3HDAC1ERN1
SCHEMBL6785475 0.68 KIF11 (0.38) PPARGPPARA
SCHEMBL7454111 0.68 LTA4H (0.55) HDAC2ERN1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed