SCHEMBL9348592

SCHEMBL9348592

CCCC[C@H]1CC[C@@H](C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.42
ESR1 P03372 4/20 0.42
CYP1A2 P05177 2/20 0.40
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
CYP19A1 P11511 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PTGS1 P23219 1/20 0.33
RAB9A P51151 1/20 0.33
NAPRT Q6XQN6 1/20 0.33

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
SCHEMBL9352382 1.00 ESR2 (0.42) ESR2ESR1CYP1A2LMNAMAPK1
SCHEMBL9348597 1.00 ESR2 (0.42) ESR2ESR1CYP1A2LMNAMAPK1
SCHEMBL9348513 0.96 ESR1 (0.41) ESR2ESR1CYP1A2LMNAALDH1A1
SCHEMBL9352401 0.96 ESR1 (0.41) ESR2ESR1CYP1A2LMNAALDH1A1
SCHEMBL9348522 0.96 ESR1 (0.41) ESR2ESR1CYP1A2LMNAALDH1A1
SCHEMBL9348908 0.94 ESR1 (0.40) ESR2ESR1CYP1A2LMNAALDH1A1
SCHEMBL9352372 0.94 ESR1 (0.40) ESR2ESR1CYP1A2LMNAALDH1A1
SCHEMBL9349965 0.94 ESR1 (0.40) ESR2ESR1CYP1A2LMNAALDH1A1
SCHEMBL9349955 0.94 ESR1 (0.40) ESR2ESR1CYP1A2LMNAALDH1A1
SCHEMBL9349952 0.94 ESR1 (0.40) ESR2ESR1CYP1A2LMNAALDH1A1

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
EP-0389092-B1 Liquid crystal-aligning coating and liquid crystal element CHISSO CORP (JP) 1994-09-07 EP disclosed
US-5152918-A Cyclohexyl aromatic polyimides; controlling pretilt angle CHISSO CORPORATION (JP) 1992-10-06 US disclosed
EP-0389092-A1 Liquid crystal-aligning coating and liquid crystal element CHISSO CORPORATION (JP) 1990-09-26 EP disclosed