SCHEMBL8048845

SCHEMBL8048845

C=CCc1ccc(-c2ccc(/C=C/CCCC(C)OCCCCC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.35
TRPM8 Q7Z2W7 3/20 0.34
ALDH1A1 P00352 3/20 0.32
BDKRB2 P30411 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 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
SCHEMBL8048851 1.00 TNNC1 (0.38) TNNC1CNR2CNR1TRPM8ALDH1A1
SCHEMBL8036986 1.00 TNNC1 (0.38) TNNC1CNR2CNR1TRPM8ALDH1A1
SCHEMBL8036987 1.00 TNNC1 (0.38) TNNC1CNR2CNR1TRPM8ALDH1A1
SCHEMBL8047664 0.92 KDM4E (0.35) TNNC1CNR2CNR1TRPM8ALDH1A1
SCHEMBL8047671 0.92 KDM4E (0.35) TNNC1CNR2CNR1TRPM8ALDH1A1
SCHEMBL8046764 0.91 CNR2 (0.37) TNNC1CNR2CNR1TRPM8ALDH1A1
SCHEMBL8036474 0.91 CNR2 (0.37) TNNC1CNR2CNR1TRPM8ALDH1A1
SCHEMBL8046769 0.91 CNR2 (0.37) TNNC1CNR2CNR1TRPM8ALDH1A1
SCHEMBL8036471 0.91 CNR2 (0.37) TNNC1CNR2CNR1TRPM8ALDH1A1
SCHEMBL8048589 0.91 RAB9A (0.39) TNNC1CNR2CNR1TRPM8ALDH1A1

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