SCHEMBL9650852

SCHEMBL9650852

CCCCCCCCCCCCOC(=O)c1ccc(OC(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.77
LMNA P02545 3/20 0.77
ESR1 P03372 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
CYP1A2 P05177 2/20 0.77
CYP2C19 P33261 2/20 0.77
CYP2D6 P10635 1/20 0.77
MAPK1 P28482 1/20 0.77
NR1H2 P55055 1/20 0.77
RNASEL Q05823 1/20 0.77
MAPT P10636 4/20 0.67
ALDH1A1 P00352 3/20 0.67
MEN1 O00255 1/20 0.67
HPGD P15428 1/20 0.67
KMT2A Q03164 1/20 0.67
NPC1 O15118 2/20 0.62
RAB9A P51151 1/20 0.62
CHRM1 P11229 1/20 0.62
SLC6A2 P23975 1/20 0.62
KDR P35968 1/20 0.62

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
SCHEMBL9651079 1.00 TSHR (0.77) TSHRLMNAESR1SMN1; SMN2CYP1A2
SCHEMBL19326766 1.00 TSHR (0.77) TSHRLMNAESR1SMN1; SMN2CYP1A2
SCHEMBL27741024 0.96 ESR1 (0.84) TSHRLMNAESR1SMN1; SMN2CYP1A2
SCHEMBL19373805 0.94 MAPT (0.74) TSHRLMNAESR1SMN1; SMN2CYP1A2
SCHEMBL19373809 0.94 MAPT (0.74) TSHRLMNAESR1SMN1; SMN2CYP1A2
SCHEMBL19373812 0.94 MAPT (0.74) TSHRLMNAESR1SMN1; SMN2CYP1A2
SCHEMBL19373811 0.94 MAPT (0.74) TSHRLMNAESR1SMN1; SMN2CYP1A2
SCHEMBL10344104 0.94 MAPT (0.74) TSHRLMNAESR1SMN1; SMN2CYP1A2
SCHEMBL19373815 0.94 MAPT (0.74) TSHRLMNAESR1SMN1; SMN2CYP1A2
SCHEMBL19373817 0.94 MAPT (0.74) TSHRLMNAESR1SMN1; SMN2CYP1A2

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