SCHEMBL9815683

SCHEMBL9815683

CCC[C@H]1CC[C@H](c2ccc([O])cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.64
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
ESR2 Q92731 8/20 0.47
ESR1 P03372 6/20 0.42
CYP3A4 P08684 2/20 0.42
SPHK1 Q9NYA1 2/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
CHEK2 O96017 1/20 0.36

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
SCHEMBL4803899 0.90 CYP2C9 (0.69) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4803893 0.90 CYP2C9 (0.69) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9152165 0.88 CYP2C9 (0.67) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9815676 0.88 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9815691 0.86 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10893211 0.85 CYP2C9 (0.63) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11195056 0.85 CYP2C9 (0.63) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9159110 0.85 CYP2C9 (0.63) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2383177 0.85 CYP2C9 (0.63) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10338526 0.85 CYP2C9 (0.63) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975307-B2 Liquid crystalline epoxy compound with terminal mesogen connected by flexible linkage and method for preparing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-04-13 US disclosed
US-20180201835-A1 LIQUID CRYSTALLINE EPOXY COMPOUND WITH TERMINAL MESOGEN CONNECTED BY FLEXIBLE LINKAGE AND METHOD FOR PREPARING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-07-19 US disclosed
EP-0120463-B1 ANTHRAQUINONE DYES AND LIQUID CRYSTAL COMPOSITIONS INCLUDING THE SAME HITACHI, LTD. (JP) 1991-11-06 EP disclosed
US-4610804-A Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1986-09-09 US disclosed
EP-0120463-A2 Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1984-10-03 EP disclosed