SCHEMBL16857587

SCHEMBL16857587

CCC(=C(C)c1ccc(C(C)=C(CC)c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.57
ESR2 Q92731 3/20 0.57
CYP19A1 P11511 2/20 0.57
PTGS2 P35354 6/20 0.49
PGR P06401 2/20 0.48
CYP3A4 P08684 2/20 0.48
NR1I2 O75469 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
NR3C1 P04150 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
FYN P06241 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
AR P10275 1/20 0.48

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
SCHEMBL28148537 0.98 ESR1 (0.53) ESR1ESR2CYP19A1PTGS2PGR
SCHEMBL3314631 0.83 ESR1 (0.61) ESR1ESR2CYP19A1PTGS2PGR
SCHEMBL8596721 0.83 ESR1 (0.61) ESR1ESR2CYP19A1PTGS2PGR
SCHEMBL14148460 0.82 ESR1 (0.74) ESR1ESR2CYP19A1PTGS2PGR
SCHEMBL9310985 0.81 ESR1 (0.55) ESR1ESR2CYP19A1PTGS2PGR
SCHEMBL9317931 0.80 ESR1 (0.56) ESR1ESR2CYP19A1PTGS2TP53
SCHEMBL9275462 0.79 ESR1 (0.53) ESR1ESR2CYP19A1PTGS2PGR
SCHEMBL22022231 0.78 ESR1 (0.70) ESR1ESR2CYP19A1PGRCYP3A4
SCHEMBL3841100 0.77 CES1 (0.43) ESR1ESR2CYP19A1PTGS2CYP3A4
SCHEMBL3841099 0.77 CES1 (0.43) ESR1ESR2CYP19A1PTGS2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2889643-B1 Multiple technologies composite scintillation detector device NUCTECH CO LTD (CN) 2016-10-05 EP disclosed
US-9322933-B2 Multiple technologies composite scintillation detector device NUCTECH COMPANY LIMITED (CN) 2016-04-26 US disclosed
US-20150185335-A1 MULTIPLE TECHNOLOGIES COMPOSITE SCINTILLATION DETECTOR DEVICE TSINGHUA UNIVERSITY (CN) 2015-07-02 US disclosed
EP-2889643-A1 Multiple technologies composite scintillation detector device Nuctech Company Limited (CN) 2015-07-01 EP disclosed