SCHEMBL10705795

SCHEMBL10705795

CC[C@H](C)COc1ccc(-c2ccc(OC[C@@H](C)CC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
AAK1 Q2M2I8 3/20 0.45
CYP3A4 P08684 2/20 0.45
GPR88 Q9GZN0 5/20 0.43
NQO1 P15559 1/20 0.42
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
MMP2 P08253 2/20 0.41
MMP3 P08254 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL10705801 1.00 FFAR1 (0.53) FFAR1AAK1CYP3A4GPR88NQO1
SCHEMBL10746515 0.92 CYP2C9 (0.51) FFAR1AAK1CYP3A4GPR88KDM4E
SCHEMBL10746512 0.92 CYP2C9 (0.51) FFAR1AAK1CYP3A4GPR88KDM4E
SCHEMBL6938802 0.91 FFAR1 (0.50) FFAR1AAK1CYP3A4GPR88
SCHEMBL7686129 0.91 FFAR1 (0.50) FFAR1AAK1CYP3A4GPR88
SCHEMBL11937090 0.88 FFAR1 (0.44) FFAR1AAK1CYP3A4GPR88CYP2D6
SCHEMBL9146899 0.88 MMP2 (0.57) FFAR1KDM4EALDH1A1HPGDMMP2
SCHEMBL21386579 0.88 MMP2 (0.57) FFAR1KDM4EALDH1A1HPGDMMP2
SCHEMBL91873 0.88 MMP2 (0.57) FFAR1KDM4EALDH1A1HPGDMMP2
SCHEMBL10742871 0.86 RARB (0.55) CYP3A4CYP2D6KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0136845-B1 LIQUID CRYSTALLINE CARBONIC ACID ESTERS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME Chisso Corporation (JP) 1988-06-01 EP disclosed
US-4676925-A Liquid crystalline biphenyl derivatives and mixtures thereof CHISSO CORPORATION (JP) 1987-06-30 US disclosed
EP-0131373-B1 LIQUID CRYSTALLINE BIPHENYL DERIVATIVES AND MIXTURES THEREOF Chisso Corporation (JP) 1986-12-30 EP disclosed
US-4614609-A FERROELECTRICITY; DISPLAY ELEMENTS CHISSO CORPORATION (JP) 1986-09-30 US disclosed
US-4589996-A DISPLAY ELEMENTS;HIGH RESPONSE VELOCITY CHISSO CORPORATION (JP) 1986-05-20 US disclosed
EP-0136845-A2 Liquid crystalline carbonic acid esters and liquid crystal compositions containing the same Chisso Corporation (JP) 1985-04-10 EP disclosed
EP-0131373-A1 Liquid crystalline biphenyl derivatives and mixtures thereof Chisso Corporation (JP) 1985-01-16 EP disclosed