SCHEMBL8728856

SCHEMBL8728856

CCCCCOc1cc(C)cc(C)c1.[O]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
ALOX15 P16050 1/20 0.51
PLA2G2A P14555 2/20 0.50
TSHR P16473 2/20 0.50
BLM P54132 1/20 0.47
NR5A1 Q13285 1/20 0.47
LTA4H P09960 2/20 0.46
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
GGPS1 O95749 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PLA2G4B P0C869 1/20 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
SCHEMBL6462571 0.98 TP53 (0.53) TP53ALOX15PLA2G2ATSHRBLM
SCHEMBL1070543 0.96 TP53 (0.56) TP53ALOX15PLA2G2ATSHRBLM
SCHEMBL21388518 0.93 PLA2G2A (0.56) TP53ALOX15PLA2G2ATSHRBLM
SCHEMBL17835021 0.91 PLA2G2A (0.59) TP53ALOX15PLA2G2ATSHRBLM
SCHEMBL12550198 0.91 PLA2G2A (0.59) TP53ALOX15PLA2G2ATSHRBLM
SCHEMBL1071885 0.91 TP53 (0.50) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL14331832 0.86 PLA2G2A (0.48) TP53ALOX15PLA2G2ATSHRBLM
SCHEMBL12749081 0.86 TP53 (0.63) TP53ALOX15PLA2G2ATSHRALDH1A1
SCHEMBL8956013 0.84 TP53 (0.54) TP53ALOX15PLA2G2ATSHRBLM
SCHEMBL8778517 0.84 PLA2G2A (0.49) TP53ALOX15PLA2G2ATSHRBLM

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-0647610-B1 A process for manufacturing 5-hydroxyisophthalic acid SUMIKIN CHEMICAL (JP) 1998-08-19 EP disclosed
US-5416256-A Process for manufacturing 5-hydroxyisophthalic acid SUMIKIN CHEMICAL CO., LTD. (JP) 1995-05-16 US disclosed
EP-0647610-A1 A process for manufacturing 5-hydroxyisophthalic acid SUMIKIN CHEMICAL CO., LTD. (JP) 1995-04-12 EP disclosed