SCHEMBL9650866

SCHEMBL9650866

CCCCCCCCCCCCOc1ccc(COc2ccc(O)cc2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.59
LTA4H P09960 2/20 0.52
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GLA P06280 1/20 0.48
BACE1 P56817 1/20 0.46
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
LPAR2 Q9HBW0 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TP53 P04637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL9647635 0.86 THRA (0.54) NR5A1LTA4HATMSMN1; SMN2GLA
SCHEMBL9698883 0.86 THRA (0.54) NR5A1LTA4HATMSMN1; SMN2GLA
SCHEMBL9734720 0.86 THRA (0.54) NR5A1LTA4HATMSMN1; SMN2GLA
SCHEMBL9698942 0.86 THRA (0.54) NR5A1LTA4HATMSMN1; SMN2GLA
SCHEMBL9578566 0.85 TP53 (0.63) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL9815747 0.81 NR5A1 (0.83) NR5A1LTA4HSMN1; SMN2ALDH1A1TP53
SCHEMBL9651029 0.81 NR5A1 (0.83) NR5A1LTA4HSMN1; SMN2ALDH1A1TP53
SCHEMBL9650667 0.81 NR5A1 (0.83) NR5A1LTA4HSMN1; SMN2ALDH1A1TP53
SCHEMBL9650233 0.81 SMN1; SMN2 (0.45) NR5A1ATMSMN1; SMN2GLABACE1
SCHEMBL14985920 0.80 ENPP2 (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD

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