SCHEMBL9446147

SCHEMBL9446147

CC(C)(C)c1c(O)ccc(O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 3/20 0.38
TYR P14679 2/20 0.38
HTT P42858 2/20 0.38
NR1I2 O75469 1/20 0.38
CYP2C9 P11712 1/20 0.38
MIF P14174 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TSHR P16473 3/20 0.37
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL7037132 0.86 ALDH1A1 (0.45) CYP3A4MAPK1ALDH1A1ALOX15HSD17B10
SCHEMBL24806431 0.86 CYP3A4 (0.52) CYP3A4MAPK1ALDH1A1ALOX15HSD17B10
SCHEMBL24945808 0.84 ESR1 (0.39) CYP3A4MAPK1ALDH1A1ALOX15HSD17B10
SCHEMBL24945815 0.82 DAO (0.35) CYP3A4MAPK1ALDH1A1ALOX15HSD17B10
SCHEMBL30027143 0.81 ALDH1A1 (0.48) CYP3A4MAPK1ALDH1A1ALOX15HSD17B10
SCHEMBL70068 0.81 ALDH1A1 (0.48) CYP3A4MAPK1ALDH1A1ALOX15HSD17B10
SCHEMBL24946313 0.81 CSNK2A2 (0.38) CYP3A4MAPK1ALDH1A1ALOX15HSD17B10
SCHEMBL7149858 0.81 ALDH1A1 (0.41) CYP3A4MAPK1ALDH1A1ALOX15HSD17B10
SCHEMBL17375021 0.75 TDP1 (0.47) CYP3A4MAPK1ALDH1A1ALOX15HSD17B10
SCHEMBL3218264 0.75 CYP3A4 (0.39) CYP3A4MAPK1ALDH1A1ALOX15HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5235025-A Cross-linkable thermotropic liquid crystalline aromatic polyester HIMONT ITALIA S.R.L. (IT) 1993-08-10 US claimed
EP-0383177-A2 Cross-linkable thermotropic liquid crystalline aromatic polyesters HIMONT ITALIA S.r.l. (IT) 1990-08-22 EP claimed
US-5235025-A Cross-linkable thermotropic liquid crystalline aromatic polyester HIMONT ITALIA S.R.L. (IT) 1993-08-10 US disclosed
EP-0383177-A2 Cross-linkable thermotropic liquid crystalline aromatic polyesters HIMONT ITALIA S.r.l. (IT) 1990-08-22 EP disclosed