SCHEMBL10426426

SCHEMBL10426426

COC(=O)/C=C/c1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.53
PARP10 Q53GL7 4/20 0.53
RAB9A P51151 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TYR P14679 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ADAM17 P78536 1/20 0.49
HPGD P15428 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HTT P42858 1/20 0.46
FFAR1 O14842 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
SCHEMBL10426427 1.00 PARP15 (0.53) PARP15PARP10RAB9ACA12CA1
SCHEMBL9636658 0.85 PARP10 (0.57) PARP15PARP10RAB9AHPGDTRPM8
SCHEMBL154421 0.85 PARP10 (0.57) PARP15PARP10RAB9AHPGDTRPM8
SCHEMBL9734423 0.84 PARP10 (0.53) PARP15PARP10RAB9AADAM17HPGD
SCHEMBL9734420 0.84 PARP10 (0.53) PARP15PARP10RAB9AADAM17HPGD
SCHEMBL9733911 0.83 PARP10 (0.58) PARP15PARP10RAB9AHPGDTRPM8
SCHEMBL9733910 0.83 PARP10 (0.58) PARP15PARP10RAB9AHPGDTRPM8
SCHEMBL7966369 0.82 CA12 (0.43) PARP15PARP10RAB9ACA12CA1
SCHEMBL7966367 0.82 CA12 (0.43) PARP15PARP10RAB9ACA12CA1
SCHEMBL7966365 0.82 CA12 (0.43) PARP15PARP10RAB9ACA12CA1

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-4939171-A Alkyl and alkenyl aryl ether derivatives; cosmetics HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-07-03 US disclosed