SCHEMBL8916665

SCHEMBL8916665

O=C(OC(=O)c1ccc(C(c2ccc(C(=O)OC(=O)c3ccccc3)cc2)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
F2 P00734 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 3/20 0.43
TP53 P04637 1/20 0.43
CES1 P23141 3/20 0.42
TNF P01375 1/20 0.42
KLF5 Q13887 1/20 0.42
NOD1 Q9Y239 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 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
SCHEMBL779220 0.85 NPC1 (0.56) LMNAF2TSHRCES1ALDH1A1
SCHEMBL16340031 0.83 CES2 (0.60) ESR1ESR2CES1NPC1RAB9A
SCHEMBL6937463 0.83 MAPT (0.66) MAPTTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL8717537 0.80 LMNA (0.67) LMNAF2MAPTTDP1L3MBTL1
SCHEMBL9290961 0.79 SRD5A2 (0.55) ESR1ESR2TSHRTP53CES1
SCHEMBL23937279 0.79 KMT2A (0.65) LMNAESR1ESR2MAPTTDP1
SCHEMBL52413 0.78 LMNA (0.70) LMNAF2MAPTTDP1L3MBTL1
Hydrogen Peroxide SCHEMBL27952375 0.78 LMNA (0.70) LMNAF2MAPTTDP1L3MBTL1
Benzene SCHEMBL27793442 0.78 LMNA (0.70) LMNAF2MAPTTDP1L3MBTL1
SCHEMBL8928305 0.78 CA1 (0.53) LMNAESR1ESR2MAPTTDP1

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
US-5608013-A Polyimides and thermosetting resin compositions containing the same HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-03-04 US disclosed
EP-0456515-B1 Polyimides and thermosetting resin compositions containing the same HITACHI CHEMICAL CO LTD (JP) 1995-11-08 EP disclosed
EP-0456515-A1 Polyimides and thermosetting resin compositions containing the same Hitachi Chemical Co., Ltd. (JP) 1991-11-13 EP disclosed