SCHEMBL16258014

SCHEMBL16258014

CCCc1ccc(-c2ccc(F)c(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
RARB P10826 2/20 0.50
RARA P10276 1/20 0.50
RARG P13631 1/20 0.50
MCL1 Q07820 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
MAOB P27338 4/20 0.42
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
KIF11 P52732 1/20 0.40
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39

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
SCHEMBL16258048 1.00 CYP17A1 (0.53) CYP17A1CYP11B1CYP11B2RARBRARA
SCHEMBL9329120 0.98 CYP17A1 (0.51) CYP17A1CYP11B1CYP11B2RARBRARA
SCHEMBL16258128 0.91 CYP17A1 (0.46) CYP17A1CYP11B1CYP11B2RARBRARA
SCHEMBL16258018 0.91 CYP17A1 (0.46) CYP17A1CYP11B1CYP11B2RARBRARA
SCHEMBL30695094 0.91 CYP17A1 (0.46) CYP17A1CYP11B1CYP11B2RARBRARA
SCHEMBL16258129 0.91 CYP17A1 (0.46) CYP17A1CYP11B1CYP11B2RARBRARA
SCHEMBL9738107 0.90 NPC1 (0.45) CYP17A1CYP11B1CYP11B2RARBRARA
SCHEMBL18416779 0.89 CYP17A1 (0.44) CYP17A1CYP11B1CYP11B2RARBRARA
SCHEMBL16258034 0.89 CYP17A1 (0.44) CYP17A1CYP11B1CYP11B2RARBRARA
SCHEMBL3611490 0.89 RARB (0.59) CYP17A1CYP11B1CYP11B2RARBRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023005682-A1 METHOD FOR ANALYZING TARGETED EXPOSURE GROUP OF ENVIRONMENTAL POLLUTANTS IN PLASMA, AND USE THEREOF 暨南大学 2023-02-02 WO disclosed
EP-3071669-B1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY DEVICE MERCK PATENT GMBH (DE) 2018-06-20 EP disclosed
US-20160024383-A1 LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-01-28 US disclosed
US-20160024383-A1 LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-01-28 US disclosed
WO-2015074737-A1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-05-28 WO disclosed
EP-2806011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC Corporation (JP) 2014-11-26 EP disclosed