SCHEMBL21090633

SCHEMBL21090633

CCC(C)(CC)c1ccc(-c2ccc(N3C(=O)C4C5C=CC(C4C3=O)C3C(=O)N(C(C)(CC)CC)C(=O)C53)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.35
AR P10275 4/20 0.31
ALDH1A1 P00352 2/20 0.31
MCL1 Q07820 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL13078214 1.00 CRHR1 (0.35) CRHR1ARALDH1A1MCL1ATM
SCHEMBL25544641 0.95 CRHR1 (0.37) CRHR1ARATM
SCHEMBL25544602 0.80 CRHR1 (0.36) CRHR1AR
SCHEMBL14573030 0.79 TSHR (0.38) ALDH1A1MCL1ATM
SCHEMBL14045733 0.78 CA9 (0.35) CRHR1ARALDH1A1
SCHEMBL13515115 0.76 CA9 (0.36) CRHR1ARALDH1A1
SCHEMBL21215699 0.76 KMT2A (0.35) ALDH1A1ATM
SCHEMBL14045642 0.75 BRD4 (0.39) ALDH1A1
SCHEMBL21064097 0.75 ALDH1A1 (0.33) ALDH1A1ATM
SCHEMBL14045732 0.75 CA9 (0.42) ALDH1A1

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
WO-2019110962-A1 COMPOSITE MEMBRANES FUJIFILM MANUFACTURING EUROPE BV (NL) 2019-06-13 WO disclosed