SCHEMBL9310985

SCHEMBL9310985

CCC(=C(C)C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.55
ESR2 Q92731 3/20 0.55
CYP19A1 P11511 2/20 0.55
ATM Q13315 1/20 0.48
PTGS2 P35354 6/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PGR P06401 2/20 0.46
CYP3A4 P08684 2/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NR3C1 P04150 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
FYN P06241 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRB1 P08588 1/20 0.46

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
SCHEMBL8596721 0.87 ESR1 (0.61) ESR1ESR2CYP19A1ATMPTGS2
SCHEMBL3314631 0.87 ESR1 (0.61) ESR1ESR2CYP19A1ATMPTGS2
SCHEMBL9275462 0.83 ESR1 (0.53) ESR1ESR2CYP19A1ATMPTGS2
SCHEMBL28148537 0.83 ESR1 (0.53) ESR1ESR2CYP19A1ATMPTGS2
SCHEMBL9310232 0.81 ESR1 (0.58) ESR1ESR2CYP19A1ATMPTGS2
SCHEMBL16857587 0.81 ESR1 (0.57) ESR1ESR2CYP19A1ATMPTGS2
SCHEMBL25455453 0.80 PTGS2 (0.42) ESR1ESR2CYP19A1ATMPTGS2
SCHEMBL641477 0.80 ESR1 (0.80) ESR1ESR2CYP19A1PTGS2PGR
SCHEMBL585024 0.80 ESR1 (0.55) ESR1ESR2CYP19A1ATMPTGS2
SCHEMBL13044536 0.78 ESR1 (0.77) ESR1ESR2CYP19A1PTGS2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4327191-A THEN AMINATING RHONE-POULENC INDUSTRIES (FR) 1982-04-27 US claimed
EP-0025385-A1 Preparation of anion-exchange resins by bromination of vinylaromatic polymers, and products obtained RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1981-03-18 EP claimed
CN-108137569-B Substituted morpholine derivatives having anti-pain activity 埃斯蒂文制药股份有限公司 2022-03-15 CN disclosed
CN-106832299-A A kind of derivative modified organosilicon damping additives of DOPO and preparation method and application 中国科学院化学研究所 2017-06-13 CN disclosed
CN-103313599-B Substituted 4- (arylamino) selenophenopyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD. (IN) 2016-03-23 CN disclosed
CN-105061768-A Preparation method for epoxy blocking side chain vinyl methyl phenyl silicone oil JIAXING UNITED CHEMICAL CO LTD 2015-11-18 CN disclosed
CN-103254029-B Method for synthesizing 2-iodoallyl fluorine compound ZHEJIANG UNIVERSITY (CN) 2014-10-08 CN disclosed
US-5326489-A Sulfonated polymer NIPPON SHOKUBAI CO., LTD. (JP) 1994-07-05 US disclosed
EP-0523300-B1 Electrorheological fluids NIPPON CATALYTIC CHEM IND (JP) 1994-01-19 EP disclosed
EP-0523300-A1 Electrorheological fluids NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) 1993-01-20 EP disclosed
US-4551502-A Macromolecular complexes of amidocarbonylic water-soluble polymers and square platinous and equivalent organometallics HOWELL BOBBY A 1985-11-05 US disclosed
US-4405757-A Macromolecular complexes of amidocarbonylic water-soluble polymers and square planar platinous and equivalent organometallics HOWELL BOBBY A 1983-09-20 US disclosed
EP-0025385-B1 PREPARATION OF ANION-EXCHANGE RESINS BY BROMINATION OF VINYLAROMATIC POLYMERS, AND PRODUCTS OBTAINED RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-05-11 EP disclosed
EP-0025385-A1 Preparation of anion-exchange resins by bromination of vinylaromatic polymers, and products obtained RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1981-03-18 EP disclosed