SCHEMBL15364317

SCHEMBL15364317

CCC(=CP(c1ccccc1)c1ccccc1)CC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
ATM Q13315 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.31
KCNN4 O15554 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL14448213 0.75 TDP1 (0.39) CYP3A4TDP1ESR1ESR2CES2
SCHEMBL15364440 0.71 GAA (0.40) ATMTP53MAPTSMN1; SMN2L3MBTL1
SCHEMBL3775427 0.70 CYP3A4 (0.39) CYP3A4TDP1ESR1ESR2TP53
SCHEMBL15527332 0.70 KDM1A (0.40) CYP3A4TDP1ESR1ESR2CES2
SCHEMBL12750946 0.70 CYP3A4 (0.35) CYP3A4TDP1ESR1ESR2
SCHEMBL9321476 0.69 ESR1 (0.31) TRPA1CYP3A4TDP1ESR1ESR2
SCHEMBL22882974 0.69 PTGS2 (0.39) TDP1ESR1CES2CES1SMN1; SMN2
SCHEMBL18636578 0.69 TRPA1 (0.34) TRPA1TP53MAPTLMNA
SCHEMBL14543389 0.68 NFE2L2 (0.41) CYP3A4TDP1ESR1ESR2CES2
SCHEMBL9185539 0.68 CYP3A4 (0.38) CYP3A4TDP1ESR1ESR2

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-9868805-B2 Polydienes and diene copolymers having organophosphine functionality BRIDGESTONE CORPORATION (JP) 2018-01-16 US disclosed
EP-2844678-B1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY BRIDGESTONE CORP (JP) 2017-02-22 EP disclosed
US-9499651-B2 Copolymers of conjugated dienes and vinyl organophosphines prepared by anionic polymerization BRIDGESTONE CORPORATION (JP) 2016-11-22 US disclosed
US-9127109-B2 Preparation of functional polymers phosphorus-containing organometal initiators BRIDGESTONE CORPORATION (JP) 2015-09-08 US disclosed
US-20150126675-A1 Polydienes And Diene Copolymers Having Organophosphine Functionality BRIDGESTONE CORPORATION (JO) 2015-05-07 US disclosed
EP-2844678-A1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY Bridgestone Corporation (JP) 2015-03-11 EP disclosed
US-20140275428-A1 Copolymers Of Conjugated Dienes And Vinyl Organophosphines Prepared By Anionic Polymerization BRIDGESTONE CORPORATION (JP) 2014-09-18 US disclosed
WO-2013166124-A1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY BRIDGESTONE CORPORATION (JP) 2013-11-07 WO disclosed
US-20130296480-A1 PREPARATION OF FUNCTIONAL POLYMERS PHOSPHORUS-CONTAINING ORGANOMETAL INITIATORS BRIDGESTONE CORPORATION (JP) 2013-11-07 US disclosed