SCHEMBL28452452

SCHEMBL28452452

CC(C)(CC(C)(C)c1ccccc1)C(=O)OOC(=O)C(C)(C)CC(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL2033478 0.87 KCNN4 (0.43) KCNN4CYP2C19HIF1ATAAR1MAPT
SCHEMBL16853358 0.82 CYP2C19 (0.48) KCNN4CYP2C19HIF1ATAAR1MAPT
SCHEMBL24200998 0.80 FABP7 (0.40) KCNN4CYP2C19HIF1ATAAR1MAPT
SCHEMBL24997844 0.76 HDAC3 (0.46) KCNN4CYP2C19HIF1ATAAR1MAPT
SCHEMBL24170126 0.75 HDAC3 (0.44) KCNN4CYP2C19HIF1ATAAR1MAPT
SCHEMBL3948530 0.73 CYP2C19 (0.47) KCNN4CYP2C19HIF1ATAAR1MAPT
SCHEMBL4133085 0.73 CYP2C19 (0.47) CYP2C19HIF1ATAAR1MAPTKMT2A
SCHEMBL13897138 0.73 CYP2C19 (0.47) KCNN4CYP2C19HIF1ATAAR1MAPT
SCHEMBL5384029 0.73 PIN1 (0.47) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL24997886 0.73 RIPK1 (0.43) CYP2C19HIF1ATAAR1ALDH1A1HDAC3

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
CN-107108996-B Composition comprising a heterophasic propylene copolymer SABIC环球技术有限责任公司 2020-08-11 CN disclosed