SCHEMBL9650446

SCHEMBL9650446

CCCCCCCCCCCCOC(=O)c1ccc(OC(=O)c2ccc(O)c(Cl)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 1/20 0.58
ESR1 P03372 5/20 0.56
STS P08842 6/20 0.56
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
NR1H2 P55055 1/20 0.53
RNASEL Q05823 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53

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
SCHEMBL21221663 0.91 ESR1 (0.62) MAPTALDH1A1ESR1STSLMNA
SCHEMBL6683939 0.91 ESR1 (0.62) MAPTALDH1A1ESR1STSLMNA
SCHEMBL9650841 0.90 LMNA (0.60) MAPTKMT2ALMNACYP1A2CYP2D6
SCHEMBL27830191 0.89 ESR1 (0.70) MEN1HPGDKMT2AESR1STS
SCHEMBL19373812 0.86 MAPT (0.74) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL19373811 0.86 MAPT (0.74) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL19373805 0.86 MAPT (0.74) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL10344104 0.86 MAPT (0.74) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL19373815 0.86 MAPT (0.74) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL19373809 0.86 MAPT (0.74) MAPTALDH1A1MEN1HPGDKMT2A

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 5 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
EP-0313379-B1 OPTICALLY ACTIVE COMPOUND HAVING DELTA-VALEROLACTONE RING AND LIQUID CRYSTAL COMPOSITION COMPRISING SAME MITSUBISHI RAYON CO., LTD. (JP) 1992-07-22 EP disclosed
US-5045228-A Useful for high speed print heads MITSUBISHI RAYON COMPANY LTD. (JP) 1991-09-03 US disclosed
US-4925591-A FERROELECTRIC MITSUBISHI RAYON CO., LTD. (JP) 1990-05-15 US disclosed
EP-0313379-A2 Optically active compound having delta-valerolactone ring and liquid crystal composition comprising same MITSUBISHI RAYON CO., LTD. (JP) 1989-04-26 EP disclosed