SCHEMBL9681527

SCHEMBL9681527

C=CCCCCC(C/C=C\CCCCCC)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.50
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PRKCA P17252 1/20 0.44
USP2 O75604 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PTPN1 P18031 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL6432724 0.97 TRPV1 (0.48) TRPV1FFAR1FFAR4PRKCAUSP2
SCHEMBL31628727 0.93 TRPV1 (0.54) TRPV1FFAR1FFAR4PRKCAUSP2
SCHEMBL7531489 0.90 TRPV1 (0.52) TRPV1FFAR1FFAR4PRKCAUSP2
SCHEMBL830444 0.90 TRPV1 (0.52) TRPV1FFAR1FFAR4PRKCAUSP2
SCHEMBL8578544 0.89 TRPV1 (0.50) TRPV1FFAR1FFAR4PRKCAFAAH
SCHEMBL17743864 0.89 TRPV1 (0.50) TRPV1FFAR1FFAR4PRKCAFAAH
SCHEMBL22469992 0.89 TRPV1 (0.50) TRPV1FFAR1FFAR4PRKCAFAAH
SCHEMBL8578546 0.89 TRPV1 (0.50) TRPV1FFAR1FFAR4PRKCAFAAH
SCHEMBL30722293 0.89 TSHR (0.52) PRKCAUSP2CYP3A4MAPTSMN1; SMN2
SCHEMBL16391027 0.88 FFAR1 (0.57) TRPV1FFAR1FFAR4PRKCAFAAH

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-5163994-A Crosslinked macroporous styrene and/or divinylbenzene carrier, sustained release BASF AKTIENGESELLSCHAFT (DE) 1992-11-17 US disclosed