SCHEMBL7901498

SCHEMBL7901498

Cc1ccc(-c2ccc(S)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.40
PTGS1 P23219 2/20 0.39
ENPP1 P22413 1/20 0.35
ACHE P22303 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
COMT P21964 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
USP7 Q93009 1/20 0.31

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
SCHEMBL15519390 0.86 PTGS2 (0.47) PTGS2PTGS1ENPP1ACHETDP1
SCHEMBL482553 0.81 ENPP1 (0.44) PTGS2PTGS1ENPP1ACHETDP1
Bromide SCHEMBL3139959 0.79 ENPP1 (0.43) PTGS2PTGS1ENPP1ACHETDP1
Iodide SCHEMBL7090862 0.79 ENPP1 (0.43) PTGS2PTGS1ENPP1ACHETDP1
SCHEMBL28139840 0.77 NPC1 (0.47) PTGS2PTGS1ACHETDP1
SCHEMBL31303989 0.77 LMNA (0.39) ENPP1
SCHEMBL9557892 0.77 LMNA (0.39) ENPP1
SCHEMBL7189567 0.76 PTGS2 (0.41) PTGS2PTGS1ENPP1ACHETDP1
SCHEMBL26045498 0.76 ACHE (0.36) PTGS2PTGS1ACHETDP1COMT
SCHEMBL11535442 0.75 ELANE (0.49) TDP1

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-6190834-B1 FIRST RESIN BEING AN EPOXY RESIN, AND A SECOND EPOXY RESIN HAVING AN N-SUBSTITUTED CARBAMIC ACID ESTER GROUP AND A RADICAL POLYMERIC UNSATURATED BOND IN ITS SIDE CHAIN HITACHI, LTD. (JP) 2001-02-20 US disclosed