SCHEMBL9757563

SCHEMBL9757563

CCCCCCCCCC(C)=CCCCCCCCCCCCC(C)C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KDM1A O60341 1/20 0.38
TERT O14746 3/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 2/20 0.38
HSD17B10 Q99714 2/20 0.38
FABP4 P15090 2/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9757567 0.89 ADH1B (0.39) FFAR1FFAR4MAPTLMNAADH1B
SCHEMBL19480644 0.86 KDM1A (0.49) KDM1A
SCHEMBL18879204 0.86 KDM1A (0.45) KDM1AKMT2A
SCHEMBL4452354 0.84 TSHR (0.37) EP300FFAR1FFAR4KDM1APPARG
SCHEMBL15054215 0.83 ADH1B (0.44) FFAR1FFAR4MAPTLMNAADH1B
SCHEMBL18879102 0.83 PTPN1 (0.44) KDM1AMAPTADH1BADH1CADH1A
SCHEMBL11973065 0.83 PPARG (0.37) EP300FFAR1FFAR4KDM1APPARG
SCHEMBL28952094 0.83 EP300 (0.40) EP300FFAR1FFAR4MAPTADH1B
SCHEMBL31744490 0.82 PTPN1 (0.45) EP300FFAR1FFAR4KDM1APTPN1
SCHEMBL18879131 0.81 ALOX15 (0.36) KDM1AALOX15

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-5075489-A Organoleptic BASF AKTIENGESELLSCHAFT (DE) 1991-12-24 US disclosed