SCHEMBL15364303

SCHEMBL15364303

CC(C)(C)P(C=C(c1ccccc1)c1ccccc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGS2 P35354 1/20 0.35
GAA P10253 1/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
DAO P14920 1/20 0.33
NAPRT Q6XQN6 1/20 0.33

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
SCHEMBL15527844 0.83 KDM1A (0.39) ALDH1A1MTNR1AMTNR1BTDP1TSHR
SCHEMBL15364521 0.76 ALDH1A1 (0.39) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9
SCHEMBL15364307 0.73 MTNR1A (0.40) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9
SCHEMBL28288711 0.71 ALDH1A1 (0.39) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9
SCHEMBL7603976 0.70 TDP1 (0.38) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9
SCHEMBL15364154 0.70 CES2 (0.38) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9
SCHEMBL496557 0.69 ALDH1A1 (0.44) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9
SCHEMBL28220158 0.68 CES1 (0.41) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9
Water SCHEMBL19100116 0.67 ALDH1A1 (0.43) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9
Phosphine SCHEMBL28070707 0.67 ALDH1A1 (0.43) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9

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
US-20130296480-A1 PREPARATION OF FUNCTIONAL POLYMERS PHOSPHORUS-CONTAINING ORGANOMETAL INITIATORS BRIDGESTONE CORPORATION (JP) 2013-11-07 US disclosed
WO-2013166124-A1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY BRIDGESTONE CORPORATION (JP) 2013-11-07 WO disclosed