SCHEMBL4472003

SCHEMBL4472003

Cc1cc(C(=O)O)[nH]c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR35 Q9HC97 2/20 0.44
PIN1 Q13526 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C19 P33261 1/20 0.41
DAO P14920 3/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
SRD5A2 P31213 1/20 0.39
GAA P10253 1/20 0.39
TPMT P51580 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL3023118 0.79 ALDH1A1 (0.54) ALDH1A1LMNACYP2C19KDM4EHPGD
SCHEMBL11195270 0.79 HRH3 (0.52) ALOX15SMN1; SMN2ALDH1A1LMNACYP2C19
SCHEMBL1044787 0.79 NOTUM (0.41) GPR35ALDH1A1DAOKDM4EHPGD
SCHEMBL12777647 0.79 KDM4E (0.55) ALOX15NFKB1BLMSMN1; SMN2GPR35
SCHEMBL14157647 0.76 GPR35 (0.41) GPR35ALDH1A1CYP2C19DAOKDM4E
SCHEMBL6622235 0.76 NOTUM (0.39) GPR35ALDH1A1DAOKDM4EHPGD
SCHEMBL436330 0.74 NFKB1 (0.50) ALOX15NFKB1BLMSMN1; SMN2GPR35
SCHEMBL8223466 0.73 ALOX15 (0.33) ALOX15NFKB1BLMSMN1; SMN2GPR35
SCHEMBL23428879 0.72 ALOX15 (0.43) ALOX15NFKB1BLMSMN1; SMN2GPR35
SCHEMBL4465333 0.72 ALDH1A1 (0.44) ALOX15NFKB1BLMSMN1; SMN2GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778299-A4 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INT BV (NL) 2009-08-26 EP claimed
EP-1778299-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2007-05-02 EP claimed
WO-2006096207-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2006-09-14 WO claimed
EP-1778299-A4 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INT BV (NL) 2009-08-26 EP disclosed
EP-1778299-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2007-05-02 EP disclosed
WO-2006096207-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2006-09-14 WO disclosed
EP-0039239-B1 HERBICIDAL PYRROLE SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-02-26 EP disclosed
US-4557752-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-12-10 US disclosed
US-4368067-A PRE-AND POSTEMERGENCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-11 US disclosed
EP-0039239-A2 Herbicidal pyrrole sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-11-04 EP disclosed