SCHEMBL7842972

SCHEMBL7842972

Cc1cc(C(=O)O)c(C(=O)O)c(C)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
CYP3A4 P08684 1/20 0.38
ACHE P22303 1/20 0.38
NOTUM Q6P988 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DRD3 P35462 1/20 0.36
PTGS2 P35354 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 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
SCHEMBL9423558 0.84 CYP3A4 (0.42) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL15259689 0.84 KDM4E (0.41) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL29576939 0.83 CYP3A4 (0.45) KDM4EHPGDHSD17B10ALDH1A1LDHA
SCHEMBL6825251 0.83 KDM4E (0.42) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL8730406 0.83 CYP3A4 (0.45) KDM4EHPGDHSD17B10ALDH1A1LDHA
SCHEMBL27818807 0.82 KDM4E (0.41) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL10663487 0.81 KDM4E (0.44) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL3030086 0.81 CYP3A4 (0.47) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL29927238 0.81 CYP3A4 (0.47) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL31423245 0.78 KDM4E (0.53) KDM4EGAAHPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140345682-A1 MODULAR SUPRAMOLECULAR ACTIVE LAYER AND ORGANIC PHOTOVOLTAIC DEVICES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2014-11-27 US disclosed
EP-0718285-B1 Restricted 9-cis-retinoids AMERICAN CYANAMID CO (US) 2001-04-11 EP disclosed
EP-0997455-A1 Restricted 9-cis retenoids American Cyanamid Company (US) 2000-05-03 EP disclosed
US-5968908-A Restricted 9-cis retinoids AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
EP-0718285-A2 Restricted 9-cis-retinoids American Cyanamid Company (US) 1996-06-26 EP disclosed