SCHEMBL7729587

SCHEMBL7729587

C=CCC1=C(O)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
GABRA1 P14867 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PPARG P37231 1/20 0.33
GABRB2 P47870 1/20 0.33
PPARD Q03181 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 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
SCHEMBL3968892 0.95
Bicarbonate SCHEMBL5795371 0.92 MEN1 (0.31) XDHMEN1KMT2ALMNA
SCHEMBL2696185 0.82 CYP3A4 (0.31) XDHMEN1KMT2AKDM4EALDH1A1
SCHEMBL2699373 0.76
SCHEMBL861711 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1961975 0.71
SCHEMBL8583265 0.71
SCHEMBL1962315 0.71
SCHEMBL1485638 0.71 NOS3 (0.33)
SCHEMBL11809142 0.70 MEN1 (0.33) MEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413448-B1 ESTERS; DOPANTS; LONGER CHIRAL SMECTIC PHASE PITCH; HIGHER TILT ANGLE; LOWER VISCOSITY; CRYSTALLIZATION SUPPRESSION; IMPROVED SOLUBILITY; BROADER C* PHASE TEMPERATURE RANGE DISPLAYTECH, INC. 2002-07-02 US disclosed
WO-2000065801-A9 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH INC (US) 2001-04-12 WO disclosed
WO-2000065801-A1 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH, INC. (US) 2000-11-02 WO disclosed