SCHEMBL6904963

SCHEMBL6904963

CC(=O)Cc1cccc(C(=O)O)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.64
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.53
ALB P02768 1/20 0.48
MMP2 P08253 1/20 0.48
HNF4A P41235 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IAPP P10997 1/20 0.43
CLCN2 P51788 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL8607932 0.86 HMGB1 (0.60) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19900571 0.85 HMGB1 (0.68) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29619558 0.82 FOLH1 (0.55) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2559743 0.82 FOLH1 (0.55) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL39623 0.82 HMGB1 (0.65) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29695710 0.82 HMGB1 (0.65) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28853970 0.81 FOLH1 (0.49) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27360496 0.81 HMGB1 (0.62) HMGB1ALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL11527302 0.81 HMGB1 (0.62) HMGB1ALDH1A1KDM4EHPGDHSD17B10
Bicarbonate SCHEMBL237485 0.81 HMGB1 (0.62) HMGB1ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58172348-A None JP disclosed
US-6777508-B1 HIGHLY ACTIVE AND HIGHLY STEREOSPECIFIC CATALYSTS FOR THE POLYMERIZATION OF PROPYLENE AND HIGHER OLEFINS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-08-17 US disclosed
US-6194342-B1 COMPRISING REACTION PRODUCT OF ALUMINUM ALKYL COMPOUND, A SILICON COMPOUND CONTAINING ONE SI--OR OR SI--OCOR OR SI--NR2 BOND, R BEING HYDROCARBYL RADICAL, A SOLID COMPRISING AS SUPPORT A MAGNESIUM DIHALIDE AND A TITANIUM HALIDE MONTELL TECHNOLOGY COMPANY BV (NL) 2001-02-27 US disclosed
EP-0045977-B2 Components and catalysts for the polymerization of olefins MONTEDISON SPA (IT) 1995-03-15 EP disclosed
US-5151415-A Method of treating a papova-type viral infection SIRANY DALLAS (US) 1992-09-29 US disclosed
US-4987127-A Method of treating a virus outbreak SIRANY DAL (US) 1991-01-22 US disclosed
EP-0045977-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montedison S.p.A. (IT) 1987-01-07 EP disclosed
JP-S58172348-A PREPARATION OF 3-PROPIONYLSALICYLIC ACID DERIVATIVE MITSUI PETROCHEM IND LTD 1983-10-11 JP disclosed
EP-0045977-A2 Components and catalysts for the polymerization of olefins Montedison S.p.A. (IT) 1982-02-17 EP disclosed