SCHEMBL9650233

SCHEMBL9650233

CCCCCCCCCCCCOc1ccc(COc2ccc(OCOC)c(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
GLA P06280 1/20 0.45
NR5A1 Q13285 1/20 0.44
ATM Q13315 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
BACE1 P56817 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41

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
SCHEMBL19612183 0.81 SMN1; SMN2 (0.55) SMN1; SMN2GLANR5A1ATMNPC1
SCHEMBL9650866 0.81 NR5A1 (0.59) SMN1; SMN2GLANR5A1ATMNPC1
SCHEMBL9650323 0.80 NR5A1 (0.56) NR5A1NPC1RAB9ATP53HPGD
SCHEMBL9578566 0.77 TP53 (0.63) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL3785500 0.77 SMN1; SMN2 (0.59) SMN1; SMN2GLAATMNPC1RAB9A
SCHEMBL17658992 0.77 MRGPRX4 (0.40) SMN1; SMN2GLANPC1RAB9AHPGD
SCHEMBL8706961 0.76 PLA2G4B (0.53) NR5A1HPGDTSHRTHRATHRB
SCHEMBL18998218 0.76 KDM4E (0.45) SMN1; SMN2GLANPC1RAB9AHPGD
SCHEMBL9650226 0.76 NPC1 (0.42) NR5A1NPC1RAB9ATP53HPGD
SCHEMBL15693373 0.75 NR5A1 (0.65) NR5A1NPC1RAB9ATP53HPGD

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