SCHEMBL9650320

SCHEMBL9650320

CCCCCCCCCCCCOc1ccc(Cc2c(Oc3ccc(O)c(Cl)c3Cc3ccc(OCCCCCCCCCCCC)cc3)ccc(O)c2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.51
LTA4H P09960 3/20 0.49
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 3/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.43
PLA2G4B P0C869 1/20 0.43
S1PR1 P21453 3/20 0.43
S1PR5 Q9H228 3/20 0.43
S1PR3 Q99500 2/20 0.43
PLA2G2A P14555 1/20 0.43

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
SCHEMBL9650863 0.92 NR5A1 (0.49) NR5A1LTA4HNPC1RAB9ATP53
SCHEMBL9650226 0.84 NPC1 (0.42) NR5A1LTA4HNPC1RAB9ATP53
SCHEMBL9650511 0.77 NR5A1 (0.49) NR5A1LTA4HNPC1RAB9ATP53
SCHEMBL9650660 0.76 NR5A1 (0.59) NR5A1LTA4HNPC1RAB9ATP53
SCHEMBL19415575 0.75 NR5A1 (0.56) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9736630 0.71 NR5A1 (0.59) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9697405 0.71 NR5A1 (0.59) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9699878 0.71 NR5A1 (0.59) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9697687 0.71 NR5A1 (0.59) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL2492282 0.71 CYP2D6 (0.59) NR5A1LTA4HTSHR

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-0321984-B1 MESOMORPHIC COMPOUND HAVING BETA-HYDROXYCARBOXYL GROUP AS CHIRAL SOURCE AND LIQUID CRYSTAL COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 1992-10-21 EP disclosed
US-4925591-A FERROELECTRIC MITSUBISHI RAYON CO., LTD. (JP) 1990-05-15 US disclosed
EP-0321984-A1 Mesomorphic compound having beta-hydroxycarboxyl group as chiral source and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1989-06-28 EP disclosed