SCHEMBL9256790

SCHEMBL9256790

CC(C)Oc1ccc(Br)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 1/20 0.45
PARP10 Q53GL7 1/20 0.44
BRD4 O60885 1/20 0.43
BRPF1 P55201 1/20 0.43
ALDH1A3 P47895 1/20 0.42
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
GLA P06280 1/20 0.40
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
FGFR1 P11362 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
PDK2 Q15119 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL16481265 0.84 ALDH1A1 (0.46) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL7792001 0.84 CA12 (0.42) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL31254048 0.84 CA12 (0.42) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL3728932 0.83 ALDH1A1 (0.44) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL28373416 0.83 ALDH1A1 (0.44) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL3931086 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTHPGDKDM4E
SCHEMBL31063385 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTHPGDKDM4E
SCHEMBL3537796 0.81 ALDH1A1 (0.47) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL31550328 0.81 ALDH1A1 (0.43) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL2710563 0.81 PARP10 (0.44) ALDH1A1KMT2APARP10BRD4BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401768-A Prostaglandin derivative, antiulcer, hypotensive, anticoagulant TORAY INDUSTRIES, INC. (JP) 1995-03-28 US disclosed
EP-0365678-B1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES (JP) 1994-01-05 EP disclosed
EP-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 EP disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed