SCHEMBL9636658

SCHEMBL9636658

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.57
PARP15 Q460N3 5/20 0.57
HPGD P15428 2/20 0.52
RARB P10826 1/20 0.52
PARP2 Q9UGN5 2/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
GPR35 Q9HC97 1/20 0.50
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
FFAR1 O14842 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.45

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
SCHEMBL154421 1.00 PARP10 (0.57) PARP10PARP15HPGDRARBPARP2
SCHEMBL8377643 0.90 PARP15 (0.48) PARP10PARP15HPGDRARBPARP2
SCHEMBL9733910 0.86 PARP10 (0.58) PARP10PARP15HPGDPARP2MEN1
SCHEMBL28372609 0.86 THRB (0.48) PARP10PARP15PARP2NPC1RAB9A
SCHEMBL3357904 0.86 HPGD (0.54) PARP10PARP15HPGDPARP2NPC1
SCHEMBL3361329 0.86 THRB (0.51) PARP10PARP15HPGDPARP2MEN1
SCHEMBL3357907 0.86 HPGD (0.54) PARP10PARP15HPGDPARP2NPC1
SCHEMBL9733911 0.86 PARP10 (0.58) PARP10PARP15HPGDPARP2MEN1
SCHEMBL3361322 0.86 THRB (0.51) PARP10PARP15HPGDPARP2MEN1
SCHEMBL10426427 0.85 PARP15 (0.53) PARP10PARP15HPGDPARP2RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315913-B1 ANTISEBORRHOIC TOPICAL COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1992-06-10 EP disclosed
US-4939171-A Alkyl and alkenyl aryl ether derivatives; cosmetics HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-07-03 US disclosed
EP-0315913-A1 Antiseborrhoic topical compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1989-05-17 EP disclosed