SCHEMBL4694933

SCHEMBL4694933

O=C(C=Cc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.72
MAOB P27338 1/20 0.72
MAPT P10636 5/20 0.68
CYP2D6 P10635 3/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
CYP1A1 P04798 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP1B1 Q16678 2/20 0.64
CXCL12 P48061 1/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
PTPN1 P18031 1/20 0.62
ATM Q13315 1/20 0.60
GPR55 Q9Y2T6 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL4694931 1.00 MAOA (0.72) MAOAMAOBMAPTCYP2D6CYP3A4
SCHEMBL28553855 0.89 MAPT (0.79) MAOAMAOBMAPTCYP2D6CYP3A4
SCHEMBL108665 0.89 MAPT (0.79) MAOAMAOBMAPTCYP2D6CYP3A4
SCHEMBL31574495 0.86 MAOA (0.85) MAOAMAOBMAPTCYP2D6CYP3A4
SCHEMBL25209543 0.82 MAPT (0.84) MAOAMAOBMAPTCYP2D6CYP3A4
SCHEMBL3440511 0.82 MAPT (0.84) MAOAMAOBMAPTCYP2D6CYP3A4
SCHEMBL30383813 0.82 MAPT (0.84) MAOAMAOBMAPTCYP2D6CYP3A4
SCHEMBL3440510 0.82 MAPT (0.84) MAOAMAOBMAPTCYP2D6CYP3A4
SCHEMBL1224869 0.81 MAPT (0.76) MAOAMAOBMAPTCYP2D6CYP3A4
SCHEMBL4694181 0.81 MAPT (0.76) MAOAMAOBMAPTCYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754179-B2 Light activated shape memory co-polymers CORNERSTONE RESEARCH GROUP, INC. (US) 2014-06-17 US disclosed
US-20080021166-A1 Light Activated Shape Memory Co-Polymers GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2008-01-24 US disclosed