SCHEMBL8918326

SCHEMBL8918326

Cc1cc(CCCCCCCCCCI)c(O)c(C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.38
CXCL12 P48061 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CSNK2A1 P68400 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KAT8 Q9H7Z6 2/20 0.36
PPARA Q07869 1/20 0.36
PTPN1 P18031 3/20 0.36
PTPN2 P17706 2/20 0.36
PTPN6 P29350 2/20 0.36
SLC16A3 O15427 2/20 0.35
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
PLK1 P53350 4/20 0.34
PLK3 Q9H4B4 1/20 0.34
BID P55957 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL7781047 0.86 KAT8 (0.50) KAT8PPARAPLK1PLK3BID
SCHEMBL9500875 0.86 KAT8 (0.50) KAT8PPARAPLK1PLK3BID
SCHEMBL334415 0.86 KAT8 (0.50) KAT8PPARAPLK1PLK3BID
SCHEMBL9324615 0.86 KAT8 (0.50) KAT8PPARAPLK1PLK3BID
SCHEMBL11771790 0.85 KAT8 (0.49) HSD17B10KDM4EKAT8PPARAPLK1
SCHEMBL11774380 0.83 GABRP (0.48) HMGB1CXCL12ALDH1A1HPGDHSD17B10
SCHEMBL8916836 0.82 HMGB1 (0.36) HMGB1CXCL12ALDH1A1HPGDHSD17B10
SCHEMBL8913363 0.82 HMGB1 (0.36) HMGB1CXCL12ALDH1A1HPGDHSD17B10
SCHEMBL9306388 0.82 HMGB1 (0.36) HMGB1CXCL12ALDH1A1HPGDHSD17B10
SCHEMBL14124080 0.77 HSD17B10 (0.61) HMGB1CXCL12ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5647896-A MULTIVALENT SALT OF A SALICYLIC ACID DERIVATIVE, SULFONATED PHENOL MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 US disclosed
EP-0714785-A1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-06-05 EP disclosed