SCHEMBL18626401

SCHEMBL18626401

CC(C)Cc1ccc(C(=O)O)c(-c2c3ccc(=N)cc-3oc3cc(N)ccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.55
USP2 O75604 3/20 0.54
CFTR P13569 1/20 0.54
PAX8 Q06710 1/20 0.54
ATM Q13315 1/20 0.54
GOPC Q9HD26 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
DNASE1L3 Q13609 1/20 0.38
PRMT1 Q99873 1/20 0.38
MEN1 O00255 1/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
KMT2A Q03164 1/20 0.38
CA9 Q16790 5/20 0.35
ESR1 P03372 1/20 0.34
CA1 P00915 4/20 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
SCHEMBL23762806 0.89 ABCB1 (0.54) ABCB1USP2CFTRPAX8ATM
SCHEMBL19269178 0.86 ABCB1 (0.59) ABCB1USP2CFTRPAX8ATM
SCHEMBL23762510 0.85 ABCB1 (0.54) ABCB1USP2CFTRPAX8ATM
SCHEMBL17695458 0.84 ABCB1 (0.61) ABCB1USP2CFTRPAX8ATM
SCHEMBL10082964 0.83 ABCB1 (0.59) ABCB1USP2CFTRPAX8ATM
SCHEMBL23378600 0.82 ABCB1 (0.64) ABCB1USP2CFTRPAX8ATM
SCHEMBL20470443 0.82 ABCB1 (0.61) ABCB1USP2CFTRPAX8ATM
SCHEMBL23378592 0.82 ABCB1 (0.58) ABCB1USP2CFTRPAX8ATM
SCHEMBL23182127 0.81 ABCB1 (0.58) ABCB1USP2CFTRPAX8ATM
SCHEMBL14176752 0.81 ABCB1 (0.62) ABCB1USP2CFTRPAX8ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873866-B2 Mutant dehalogenase proteins PROMEGA CORPORATION (US) 2018-01-23 US disclosed
US-20170137793-A1 POLYNUCLEOTIDES ENCODING MUTANT HYDROLASE PROTEINS WITH ENHANCED KINETICS AND FUNCTIONAL EXPRESSION JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-05-18 US disclosed
US-9593316-B2 Polynucleotides encoding mutant hydrolase proteins with enhanced kinetics and functional expression PROMEGA CORPORATION (US) 2017-03-14 US disclosed