SCHEMBL15364436

SCHEMBL15364436

C=C(c1ccccn1)P(C1CCCC1)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
CRBN Q96SW2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
EPHX2 P34913 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
MERTK Q12866 1/20 0.37

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
SCHEMBL15364571 0.98 GRM5 (0.44) GRM5CES2CES1PKMCYP1A2
SCHEMBL15364399 0.75 GRM5 (0.40) GRM5CES2CES1PKMCYP1A2
SCHEMBL15364237 0.75 RAB9A (0.46) GRM5CES2CES1PKMCYP1A2
SCHEMBL15364276 0.74 SMN1; SMN2 (0.39) GRM5PKMCYP1A2GAALMNA
SCHEMBL15364286 0.74 RAB9A (0.44) GRM5CES2CES1PKMCYP1A2
SCHEMBL15364236 0.73 GRM5 (0.43) GRM5CES2CES1PKMCYP1A2
SCHEMBL27714879 0.73 RAB9A (0.39) GAALMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL15364285 0.72 CYP1A2 (0.44) GRM5CES2CES1PKMCYP1A2
SCHEMBL323668 0.71 ALDH1A1 (0.50) GRM5CES2CES1PKMCYP1A2
SCHEMBL15364567 0.70 L3MBTL1 (0.47) CES2CES1PKMGAAL3MBTL1

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