SCHEMBL21090280

SCHEMBL21090280

CCCCCC=CC[C@H](C)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
FAAH O00519 4/20 0.46
TRPV1 Q8NER1 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP3A4 P08684 2/20 0.46
TERT O14746 3/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C19 P33261 2/20 0.45
BLM P54132 2/20 0.45
HSD17B10 Q99714 2/20 0.45
FABP4 P15090 2/20 0.45
PTPN1 P18031 2/20 0.45
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 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
SCHEMBL21090072 1.00 FFAR1 (0.49) FFAR1FFAR4FAAHTRPV1NFKB1
SCHEMBL11775204 0.98 FFAR1 (0.51) FFAR1FFAR4FAAHTRPV1KMT2A
SCHEMBL6308989 0.98 FFAR1 (0.51) FFAR1FFAR4FAAHTRPV1KMT2A
SCHEMBL6308991 0.98 FFAR1 (0.51) FFAR1FFAR4FAAHTRPV1KMT2A
SCHEMBL3879703 0.93 FFAR1 (0.42) FFAR1FFAR4FAAHTRPV1NFKB1
SCHEMBL29159462 0.85 FFAR1 (0.56) FFAR1FFAR4FAAHTRPV1NFKB1
SCHEMBL1873685 0.83
SCHEMBL1873681 0.83
SCHEMBL1873683 0.83
SCHEMBL3254563 0.83

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
EP-3280704-B1 METHOD FOR SYNTHESIZING A PRECURSOR OF A SINGLE DAIRY-LACTONE ISOMER INST DES SCIENCES ET INDUSTRIES DU VIVANT ET DE LENVIRONNEMENT AGROPARISTECH (FR) 2019-06-12 EP disclosed