SCHEMBL10658495

SCHEMBL10658495

O=C(O)C=CCCCc1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.60
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
ESR1 P03372 3/20 0.45
ESR2 Q92731 2/20 0.45
CA12 O43570 1/20 0.44
AKR1B10 O60218 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
PKM P14618 1/20 0.44
TYR P14679 1/20 0.44
AKR1B1 P15121 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
DPP4 P27487 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
HCAR2 Q8TDS4 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
SCHEMBL5847973 0.85 GPR52 (0.56) TRPV1HCAR2TBXAS1ALDH1A1MAPT
SCHEMBL5847965 0.85 GPR52 (0.56) TRPV1HCAR2TBXAS1ALDH1A1MAPT
SCHEMBL6889033 0.81 ESR1 (0.48) TRPV1IGF1RALOX15ESR1ESR2
SCHEMBL6150486 0.81 ATG4B (0.66) PLA2G1BATG4BTHRATHRBCYP1A2
SCHEMBL11149396 0.81 GPR52 (0.53) TRPV1TBXAS1
SCHEMBL1150822 0.80 TRPV1 (0.61) TRPV1HCAR2TBXAS1ALDH1A1MAPT
SCHEMBL1009881 0.80 TRPV1 (0.61) TRPV1HCAR2TBXAS1ALDH1A1MAPT
SCHEMBL16288652 0.79 TRPV1 (0.64) TRPV1TBXAS1ALDH1A1MAPTSLC6A3
SCHEMBL597782 0.79 TRPV1 (0.64) TRPV1TBXAS1ALDH1A1MAPTSLC6A3
SCHEMBL16289717 0.79 TRPV1 (0.64) TRPV1TBXAS1ALDH1A1MAPTSLC6A3

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-4743585-A PEPTIDES, HYPOTENSIVE AGENTS, HYPERALDOSTERONISM WARNER-LAMBERT COMPANY (US) 1988-05-10 US disclosed