SCHEMBL15364611

SCHEMBL15364611

CC(C)(C)P(C=C(c1ccccn1)c1ccccn1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
KMT2A Q03164 2/20 0.39
GSK3B P49841 1/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
PKM P14618 2/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
OPRK1 P41145 1/20 0.38

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
Octane SCHEMBL15530830 0.83 LMNA (0.45) ALDH1A1MAPK1CES2CES1KDM4E
SCHEMBL15364277 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1CES2CES1KDM4E
SCHEMBL15364055 0.76 LMNA (0.46) ALDH1A1CES2CES1KDM4ELMNA
SCHEMBL15527488 0.76 LMNA (0.48) ALDH1A1CES2CES1KDM4ELMNA
SCHEMBL15364494 0.74 CES2 (0.44) ALDH1A1CES2CES1KDM4ELMNA
SCHEMBL15364656 0.74 LMNA (0.43) ALDH1A1CES2CES1KDM4ELMNA
SCHEMBL15364518 0.73 ALDH1A1 (0.48) ALDH1A1MAPK1CES2CES1KDM4E
SCHEMBL27992951 0.70 ALDH1A1 (0.54) ALDH1A1CES2CES1KDM4ELMNA
SCHEMBL15364655 0.69 LMNA (0.50) ALDH1A1KDM4ELMNAL3MBTL1NAPRT
SCHEMBL15364482 0.69 LMNA (0.50) ALDH1A1KDM4ELMNAL3MBTL1NAPRT

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 7 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
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