SCHEMBL9253099

SCHEMBL9253099

CCCCc1cc(C)c(O)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.67
CXCL12 P48061 1/20 0.67
KAT8 Q9H7Z6 2/20 0.53
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
PPARA Q07869 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RARB P10826 4/20 0.48
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7783721 0.94 HMGB1 (0.63) HMGB1CXCL12KAT8AKR1C2AKR1C1
SCHEMBL7782524 0.94 HMGB1 (0.63) HMGB1CXCL12KAT8AKR1C2AKR1C1
SCHEMBL334544 0.94 HMGB1 (0.63) HMGB1CXCL12KAT8AKR1C2AKR1C1
SCHEMBL334671 0.92 HMGB1 (0.61) HMGB1CXCL12KAT8AKR1C2AKR1C1
SCHEMBL9955888 0.90 HMGB1 (0.71) HMGB1CXCL12KAT8AKR1C2AKR1C1
SCHEMBL5676629 0.85 PPARA (0.62) HMGB1CXCL12KAT8AKR1C2AKR1C1
SCHEMBL211842 0.83 KAT8 (0.53) HMGB1CXCL12KAT8AKR1C2AKR1C1
Ammonia Solution, Strong SCHEMBL29240246 0.83 PPARA (0.60) HMGB1CXCL12KAT8AKR1C2AKR1C1
SCHEMBL11596514 0.83 KAT8 (0.69) KAT8AKR1C2AKR1C1PPARARARB
SCHEMBL27334367 0.82 KAT8 (0.54) KAT8AKR1C2AKR1C1PPARAHPGD

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-0338808-B1 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INT INC (US) 1995-08-23 EP disclosed
US-5017546-A Metallized phenolic resins SCHENECTADY INTERNATIONAL, INC. 1991-05-21 US disclosed
EP-0338808-A2 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INTERNATIONAL, INC. (US) 1989-10-25 EP disclosed