SCHEMBL6904968

SCHEMBL6904968

CC(=O)COc1ccccc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.69
HTT P42858 2/20 0.69
ALDH1A1 P00352 7/20 0.61
KMT2A Q03164 3/20 0.61
PTK2B Q14289 1/20 0.61
HSD17B10 Q99714 6/20 0.59
HPGD P15428 4/20 0.59
ESR1 P03372 1/20 0.59
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
HMGB1 P09429 1/20 0.59
TSHR P16473 1/20 0.59
GGT1 P19440 1/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
BLM P54132 1/20 0.59
NAPRT Q6XQN6 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL29158556 0.86 KDM4E (0.61) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL3316012 0.86 KDM4E (0.65) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL16966571 0.86 KDM4E (0.65) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL29502958 0.85 KDM4E (0.73) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL341639 0.85 KDM4E (0.73) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL3314748 0.84 KDM4E (0.63) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL2955119 0.84 KMT2A (0.62) KDM4EHTTALDH1A1KMT2AHSD17B10
SCHEMBL7718767 0.84 MAPT (0.59) KDM4EHTTALDH1A1KMT2ALMNA
SCHEMBL10335500 0.83 KDM4E (0.61) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL4237868 0.82 KDM4E (0.65) KDM4EHTTALDH1A1KMT2APTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117180-A1 AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) 2007-10-18 WO 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
EP-0045977-A2 Components and catalysts for the polymerization of olefins Montedison S.p.A. (IT) 1982-02-17 EP disclosed