SCHEMBL23014692

SCHEMBL23014692

CC(C)(C)c1[c]c2[nH]c3ccccc3c2cc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.49
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GPR3 P46089 1/20 0.39
AHR P35869 1/20 0.39
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL28160728 0.73 AHR (0.63) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL9010052 0.72 KIF11 (0.49) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL1427044 0.70 MAPT (0.46) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL10616131 0.67 ALDH1A1 (0.45) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL3866477 0.66 KIF11 (1.00) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL1426545 0.66 KIF11 (0.48) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL29361061 0.66 KIF11 (1.00) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL5216846 0.66 KIF11 (0.49) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL667987 0.65 KIF11 (0.39) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL15828556 0.65 CYP1A2 (0.61) KIF11ALDH1A1HSD17B10GPR3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4017862-A1 BIS(PHOSPHINO)-PHENOXY NICKEL(II) CATALYSTS FOR THE COPOLYMERIZATION OF ETHYLENE AND ACRYLATE MONOMERS Dow Global Technologies LLC (US) 2022-06-29 EP disclosed
WO-2021034809-A1 BIS(PHOSPHINO)-PHENOXY NICKEL(II) CATALYSTS FOR THE COPOLYMERIZATION OF ETHYLENE AND ACRYLATE MONOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2021-02-25 WO disclosed