SCHEMBL8048950

SCHEMBL8048950

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc(-c3cnc(O)nc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.35
ABCG2 Q9UNQ0 2/20 0.34
ALDH1A1 P00352 4/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
RARB P10826 3/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CASP3 P42574 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL8047774 1.00 TNNC1 (0.35) TNNC1ABCG2ALDH1A1CNR1CNR2
SCHEMBL8048958 1.00 TNNC1 (0.35) TNNC1ABCG2ALDH1A1CNR1CNR2
SCHEMBL8047770 1.00 TNNC1 (0.35) TNNC1ABCG2ALDH1A1CNR1CNR2
SCHEMBL8054388 0.90 ALDH1A1 (0.36) TNNC1ABCG2ALDH1A1CNR1CNR2
SCHEMBL8054383 0.90 ALDH1A1 (0.36) TNNC1ABCG2ALDH1A1CNR1CNR2
SCHEMBL8046658 0.90 ALDH1A1 (0.36) TNNC1ABCG2ALDH1A1CNR1CNR2
SCHEMBL8046661 0.90 ALDH1A1 (0.36) TNNC1ABCG2ALDH1A1CNR1CNR2
SCHEMBL8047581 0.90 ABCG2 (0.41) TNNC1ABCG2ALDH1A1RARBKDM4E
SCHEMBL8047586 0.90 ABCG2 (0.41) TNNC1ABCG2ALDH1A1RARBKDM4E
SCHEMBL8054115 0.90 ABCG2 (0.41) TNNC1ABCG2ALDH1A1RARBKDM4E

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