SCHEMBL13869738

SCHEMBL13869738

COC(=O)c1ccccc1SCCc1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 4/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.48
ATM Q13315 1/20 0.48
PTGS2 P35354 1/20 0.47
F2RL1 P55085 1/20 0.47
PLA2G2A P14555 1/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
GAA P10253 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL6380511 0.88 PTGS2 (0.56) POLBHSD17B10KMT2AHPGDALDH1A1
SCHEMBL13869741 0.88 POLB (0.57) POLBHSD17B10KMT2AALDH1A1PTGS2
SCHEMBL4964440 0.86 ALDH1A1 (0.50) POLBHSD17B10KMT2AALDH1A1NPC1
SCHEMBL28326285 0.86 POLB (0.58) POLBHSD17B10KMT2AHPGDALDH1A1
SCHEMBL13869746 0.81 EGFR (0.49) POLBHSD17B10KMT2AALDH1A1NPC1
SCHEMBL4963765 0.81 POLB (0.48) POLBHSD17B10KMT2AHPGDALDH1A1
SCHEMBL4003704 0.80 POLB (0.55) POLBHSD17B10KMT2AALDH1A1PTGS2
SCHEMBL13869757 0.80 MAPK1 (0.60) POLBHSD17B10KMT2AALDH1A1NPC1
SCHEMBL4962386 0.78 TRPM8 (0.58) HSD17B10ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10144072 0.78 HSD17B10 (0.67) POLBHSD17B10KMT2AALDH1A1NPC1

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-7521461-B2 Benzoic acid derivatives as modulators of PPAR alpha and gamma ASTRAZENECA AB (SE) 2009-04-21 US disclosed