SCHEMBL8040327

SCHEMBL8040327

C=CCc1cnc(-c2ccc(C=CCCCC(C)O)cc2)nc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MITF O75030 1/20 0.31
KLF5 Q13887 1/20 0.31
RARB P10826 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 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
SCHEMBL8040324 1.00 KDM4E (0.31) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8051315 0.99 HDAC3 (0.32) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8051319 0.99 HDAC3 (0.32) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8053738 0.92 MEN1 (0.32) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL8053734 0.92 MEN1 (0.32) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL8048590 0.92 MEN1 (0.32) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL8048584 0.92 MEN1 (0.32) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL8047657 0.92 ALDH1A1 (0.31) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8047654 0.92 ALDH1A1 (0.31) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8047402 0.89 ALOX5AP (0.32)

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