SCHEMBL9716523

SCHEMBL9716523

NCCC[SiH2]OCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
HTR2A P28223 2/20 0.48
CYP2A6 P11509 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
IDO1 P14902 1/20 0.46
SIGMAR1 Q99720 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL706043 0.84 SIGMAR1 (0.43) IDO1SIGMAR1NPC1RAB9A
SCHEMBL5704258 0.81 TSHR (0.48) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL708784 0.79 SIGMAR1 (0.40) IDO1SIGMAR1CA1CA2CA9
SCHEMBL704446 0.75 IDO1 (0.47) IDO1SIGMAR1
SCHEMBL705288 0.75 CA1 (0.41) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL3246183 0.75 MAOA (0.59) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL704523 0.74 CA1 (0.44) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL29162909 0.74 CA1 (0.48) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL706090 0.74 KCNH2 (0.45) MAOAIDO1SIGMAR1
SCHEMBL19470885 0.74 SIGMAR1 (0.46) IDO1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274699-B1 A PROCESS FOR PREPARING ACRYLATE-FUNCTIONAL ORGANOPOLYSILOXANE-URETHANE COPOLYMERS WACKER-CHEMIE GMBH (DE) 1992-07-22 EP disclosed
US-4762887-A Process for preparing acrylate-functional organopolysiloxane-urethane copolymers WACKER SILICONES CORPORATION (US) 1988-08-09 US disclosed
EP-0274699-A2 A process for preparing acrylate-functional organopolysiloxane-urethane copolymers WACKER-CHEMIE GMBH (DE) 1988-07-20 EP disclosed
US-4606933-A Acrylate-functional organopolysiloxanes SWS SILICONES CORPORATION (US) 1986-08-19 US disclosed