SCHEMBL10436113

SCHEMBL10436113

C[C@H]1CC[C@H](C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)CC1.Oc1ccc(C2(c3ccc(O)cc3)CCC(C3CCCCC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.53
ESR1 P03372 5/20 0.53
OPRM1 P35372 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL9352654 0.94 ESR2 (0.52) ESR2ESR1ALDH1A1MAPTCYP1A2
SCHEMBL9348579 0.94 ESR2 (0.52) ESR2ESR1ALDH1A1MAPTCYP1A2
SCHEMBL9348569 0.94 ESR2 (0.52) ESR2ESR1ALDH1A1MAPTCYP1A2
SCHEMBL9065421 0.90 ESR2 (0.64) ESR2ESR1OPRM1ALDH1A1L3MBTL1
SCHEMBL4407090 0.83 ESR2 (0.71) ESR2ESR1ALDH1A1MAPTCYP1A2
SCHEMBL237553 0.83 ESR2 (0.59) ESR2ESR1ALDH1A1MAPTCYP1A2
SCHEMBL45825 0.83 ESR2 (0.64) ESR2ESR1ALDH1A1MAPTHPGD
SCHEMBL13379646 0.80 ESR2 (0.52) ESR2ESR1OPRM1KMT2A
SCHEMBL11052718 0.80 ESR2 (0.52) ESR2ESR1OPRM1KMT2A
SCHEMBL8148479 0.78 ESR2 (0.53) ESR2ESR1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0389092-A1 Liquid crystal-aligning coating and liquid crystal element CHISSO CORPORATION (JP) 1990-09-26 EP disclosed