SCHEMBL7737586

SCHEMBL7737586

CCCCCC1=CCC(SCOc2ccc(CCC3CC=C(CCC=C(C)C)CC3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 1/20 0.33
FNTA P49354 1/20 0.32
PGGT1B P53609 1/20 0.32
SPHK2 Q9NRA0 4/20 0.31
SPHK1 Q9NYA1 3/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30
PKM P14618 1/20 0.30
CYP2D6 P10635 1/20 0.30
RAB9A P51151 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
SCHEMBL7729673 0.88 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL7736956 0.79 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL9054098 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL7736377 0.75 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL14570033 0.73 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL7739452 0.72 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL14570074 0.72 RARB (0.42) MEN1KMT2AALDH1A1MAPTUSP2
SCHEMBL9350996 0.71 KMT2A (0.40) MEN1KMT2AALDH1A1USP2LMNA
SCHEMBL9352209 0.70 KMT2A (0.42) MEN1KMT2AALDH1A1USP2LMNA
SCHEMBL9355028 0.70 KMT2A (0.42) MEN1KMT2AALDH1A1USP2LMNA

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