SCHEMBL8036779

SCHEMBL8036779

C=CCc1ccc2nc(-c3ccc(/C=C/CCCC(C)O)cc3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MAOB P27338 2/20 0.34
ALOX5 P09917 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL8036782 1.00 MAPT (0.36) MAPTESR1ESR2MAOBALOX5
SCHEMBL8051063 0.94 MAPT (0.36) MAPTESR1ESR2MAOBALOX5
SCHEMBL8051060 0.94 MAPT (0.36) MAPTESR1ESR2MAOBALOX5
SCHEMBL7554958 0.90 MAPT (0.32) MAPTESR1ESR2MAOBALOX5
SCHEMBL7554953 0.90 MAPT (0.32) MAPTESR1ESR2MAOBALOX5
SCHEMBL8046073 0.87 MAPT (0.34) MAPTESR1ESR2MAOBALOX5
SCHEMBL8046069 0.87 MAPT (0.34) MAPTESR1ESR2MAOBALOX5
SCHEMBL8036724 0.87
SCHEMBL8036729 0.87
SCHEMBL8036822 0.86 ALOX5 (0.31) MAPTALOX5PDE3BPDE3AP2RY12

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-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed