SCHEMBL11650577

SCHEMBL11650577

CCCCCCCCCCCCCCC(C(=O)O)(c1cccc2ccccc12)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.41
CNR1 P21554 5/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.38
KIF11 P52732 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
SCHEMBL16820051 0.81 CNR2 (0.42) CNR2CNR1KDM4EPPARGPPARA
SCHEMBL27615740 0.78 CNR2 (0.40) CNR2CNR1KDM4EALDH1A1KMT2A
SCHEMBL10580580 0.78 CNR2 (0.40) CNR2CNR1KDM4EALDH1A1KMT2A
SCHEMBL2127595 0.77 KDM4E (0.39) CNR2CNR1KDM4EALDH1A1KMT2A
SCHEMBL8662431 0.76 KDM4E (0.39) CNR2CNR1KDM4EKMT2AL3MBTL1
SCHEMBL28287116 0.75 KDM4E (0.44) CNR2CNR1KDM4EALDH1A1KMT2A
SCHEMBL28281175 0.74 KDM4E (0.39) CNR2CNR1KDM4EALDH1A1KMT2A
SCHEMBL6685429 0.74 KDM4E (0.39) CNR2CNR1KDM4EALDH1A1KMT2A
SCHEMBL28039055 0.74 KDM4E (0.39) CNR2CNR1KDM4EALDH1A1KMT2A
SCHEMBL6681394 0.74 KDM4E (0.39) CNR2CNR1KDM4EALDH1A1KMT2A

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-4088782-A Substituted-benzyl α-C1 -C4 alkyl-2-naphthaleneacetates as insecticidal agents AMERICAN CYANAMID COMPANY (US) 1978-05-09 US disclosed