SCHEMBL10549765

SCHEMBL10549765

Cc1ccc(S(=O)(=O)NCC2CCCc3cc(OCC(=O)O)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 11/20 0.50
HTR6 P50406 6/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FFAR1 O14842 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM6B O15054 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
SCHEMBL10551358 0.91 HTR6 (0.53) KDM4CHTR6ALOX15TSHRHSD17B10
SCHEMBL10550733 0.90 HTR6 (0.49) KDM4CHTR6
SCHEMBL10550118 0.90 HTR6 (0.46) KDM4CHTR6ALOX15TSHRHSD17B10
SCHEMBL10564090 0.88 PPARD (0.52) KDM4CHTR6ALOX15TSHRHSD17B10
SCHEMBL10553512 0.87 HTR6 (0.44) KDM4CHTR6ALOX15TSHRHSD17B10
SCHEMBL10550518 0.85 HTR6 (0.46) KDM4CHTR6ALOX15TSHRHSD17B10
SCHEMBL10357654 0.84 CYP1A2 (0.51) ALOX15TSHRHSD17B10MEN1ALDH1A1
SCHEMBL10596417 0.83 FFAR1 (0.48) KDM4CFFAR1MEN1ALDH1A1CYP2C9
SCHEMBL10553988 0.83 HTR6 (0.56) KDM4CHTR6
SCHEMBL10550905 0.82 PTGIR (0.52) KDM4CHSD17B10MEN1ALDH1A1CYP2C9

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
US-4886898-A THROMOBOXANE ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
US-4868332-A ANTITHROMBOTIC, ANTIATHEROSCLEROTIC, ANTIISCHEMIC BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed