SCHEMBL9352594

SCHEMBL9352594

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.44
ESR1 P03372 4/20 0.44
CYP2C9 P11712 1/20 0.35
OPRK1 P41145 3/20 0.34
OPRM1 P35372 2/20 0.34
OPRL1 P41146 1/20 0.34
TLR4 O00206 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRD1 P41143 2/20 0.34
FYN P06241 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
SCHEMBL9352604 1.00 ESR2 (0.44) ESR2ESR1CYP2C9OPRK1OPRM1
SCHEMBL9352649 1.00 ESR2 (0.44) ESR2ESR1CYP2C9OPRK1OPRM1
SCHEMBL9348592 0.91 ESR2 (0.42) ESR2ESR1CYP2C9OPRK1ALDH1A1
SCHEMBL9352382 0.91 ESR2 (0.42) ESR2ESR1CYP2C9OPRK1ALDH1A1
SCHEMBL9348597 0.91 ESR2 (0.42) ESR2ESR1CYP2C9OPRK1ALDH1A1
SCHEMBL9354044 0.91 ESR2 (0.47) ESR2ESR1CYP2C9OPRK1OPRM1
SCHEMBL9354045 0.91 ESR2 (0.47) ESR2ESR1CYP2C9OPRK1OPRM1
SCHEMBL8021816 0.91 ESR2 (0.50) ESR2ESR1CYP2C9OPRK1OPRM1
SCHEMBL9348513 0.90 ESR1 (0.41) ESR2ESR1CYP2C9ALDH1A1LMNA
SCHEMBL9352401 0.90 ESR1 (0.41) ESR2ESR1CYP2C9ALDH1A1LMNA

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