SCHEMBL8036617

SCHEMBL8036617

C=CCOc1ccc(-c2ccc(C=CCCCC(C)O)nc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.33
LSS P48449 1/20 0.33
SLC22A1 O15245 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
CHEK1 O14757 1/20 0.32
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
KDR P35968 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL8036612 1.00 AAK1 (0.33) AAK1LSSSLC22A1LMNACYP1A2
SCHEMBL8051401 0.99 AAK1 (0.33) AAK1LSSSLC22A1LMNACYP1A2
SCHEMBL8051395 0.99 AAK1 (0.33) AAK1LSSSLC22A1LMNACYP1A2
SCHEMBL8053706 0.90 AAK1 (0.35) AAK1LSSSLC22A1LMNACYP1A2
SCHEMBL8053703 0.90 AAK1 (0.35) AAK1LSSSLC22A1LMNACYP1A2
SCHEMBL8048972 0.89 AAK1 (0.35) AAK1LSSCHEK1CDK4CCNA2
SCHEMBL8048979 0.89 AAK1 (0.35) AAK1LSSCHEK1CDK4CCNA2
SCHEMBL8046276 0.88 AAK1 (0.33) AAK1LSSCHEK1CDK4CCNA2
SCHEMBL8046279 0.88 AAK1 (0.33) AAK1LSSCHEK1CDK4CCNA2
SCHEMBL8054348 0.87 AAK1 (0.32) AAK1LSSKDR

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