SCHEMBL24200998

SCHEMBL24200998

CC(C)(CC(C)(C)c1ccccc1)C(=O)OCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.40
CHRM2 P08172 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
KCNN4 O15554 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37
CMA1 P23946 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL19872290 0.87 CYP1A1 (0.38) MDH1MDH2KMT2AMAPTALDH1A1
SCHEMBL28452452 0.80 KCNN4 (0.44) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL2033478 0.79 KCNN4 (0.43) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL9292180 0.75 KCNN4 (0.43) FABP7CHRM2CHRM1CHRM3CHRM4
SCHEMBL16853358 0.75 CYP2C19 (0.48) KCNN4CYP2C19HIF1ATAAR1KMT2A
SCHEMBL19872293 0.75 HTT (0.43) KMT2AALDH1A1TSHRMEN1
SCHEMBL18119987 0.74 CHRM2 (0.37) FABP7CHRM2CHRM1CHRM3CHRM4
SCHEMBL13202632 0.74 FABP7 (0.39) FABP7PRSS1CTSGCTRB1CMA1
SCHEMBL6690054 0.72 POLB (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL29302372 0.72 CYP1A2 (0.39) FABP7PRSS1CTSGCTRB1CMA1

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-3497068-B1 PROCESS FOR MODIFICATION OF A SOLID SURFACE SURFIX B V (NL) 2022-01-19 EP disclosed