SCHEMBL8054075

SCHEMBL8054075

C=CCOc1ccc(-c2ccc3cc(/C=C/CCCC(C)O)ccc3c2)cn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.33
ABL1 P00519 1/20 0.33
ATM Q13315 2/20 0.33
ERN1 O75460 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
CHEK1 O14757 1/20 0.30
CDK4 P11802 1/20 0.30
CCNA2 P20248 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30
CCND3 P30281 1/20 0.30
KDR P35968 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
SCHEMBL8054080 1.00 SRC (0.33) SRCABL1ATMERN1HDAC1
SCHEMBL8674141 0.90 SRC (0.33) SRCABL1ATMERN1
SCHEMBL8600529 0.90 SRC (0.33) SRCABL1ATMERN1
SCHEMBL8036488 0.90 NPC1 (0.32) HDAC1HDAC8
SCHEMBL8036481 0.90 NPC1 (0.32) HDAC1HDAC8
SCHEMBL8046828 0.88 HDAC1 (0.33) HDAC1HDAC8PDE3BPDE3AP2RY12
SCHEMBL8046822 0.88 HDAC1 (0.33) HDAC1HDAC8PDE3BPDE3AP2RY12
SCHEMBL8051384 0.87 NPC1 (0.39) SRCABL1HDAC1HDAC8PDE3B
SCHEMBL8051380 0.87 NPC1 (0.39) SRCABL1HDAC1HDAC8PDE3B
SCHEMBL8234700 0.86 ALOX5AP (0.34) ATMERN1PDE3BPDE3A

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