SCHEMBL9543513

SCHEMBL9543513

COc1ccc(C(O)c2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.43
TSHR P16473 2/20 0.42
TXNRD1 Q16881 1/20 0.42
MCHR1 Q99705 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A9 P48067 1/20 0.40

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
SCHEMBL9542307 0.90 MEN1 (0.42) TSHRMCHR1MAPTALOX15SLC6A9
SCHEMBL9540800 0.87 ALOX15 (0.47) HIF1ATSHRMAPTALOX15HSD17B10
SCHEMBL9540786 0.86 ALOX15 (0.45) HIF1ATSHRTXNRD1MAPTALOX15
SCHEMBL9542198 0.83 GAA (0.47) HIF1ATSHRMCHR1MAPTNPC1
SCHEMBL9544546 0.79 TRPM8 (0.55) TSHRNPC1RAB9A
SCHEMBL10453097 0.79 SLC6A9 (0.51) MAPTALOX15NPC1RAB9ASLC6A9
SCHEMBL9542195 0.79 MEN1 (0.40) TSHRTXNRD1ALOX15SLC6A9
SCHEMBL9541760 0.77 TUBB4A (0.51) MAPTSLC6A9
SCHEMBL9584911 0.77 MEN1 (0.39) TSHRTXNRD1MAPTALOX15SLC6A9
SCHEMBL9543443 0.77 TSHR (0.43) TSHRTXNRD1MAPTNPC1RAB9A

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-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US claimed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO claimed
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed