SCHEMBL7563885

SCHEMBL7563885

O=CCCc1ccc(OCCCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.59
ESR1 P03372 2/20 0.57
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
S1PR1 P21453 4/20 0.55
S1PR3 Q99500 2/20 0.55
PPARG P37231 3/20 0.53
S1PR5 Q9H228 1/20 0.52
PPARA Q07869 3/20 0.50
LTA4H P09960 2/20 0.49
FFAR4 Q5NUL3 1/20 0.49
PPARD Q03181 1/20 0.48

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
SCHEMBL7334660 0.82 ALOX15 (0.53) FFAR1PPARGPPARAFFAR4PPARD
SCHEMBL31448501 0.81 PPARA (0.65) FFAR1LMNAL3MBTL1PPARAFFAR4
SCHEMBL7474657 0.81 FFAR1 (0.62) FFAR1ESR1LMNAL3MBTL1S1PR1
SCHEMBL7565477 0.81 FFAR1 (0.67) FFAR1ESR1LMNAL3MBTL1S1PR1
SCHEMBL949911 0.81 FFAR1 (0.62) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL3188400 0.80 LMNA (0.51) LMNAL3MBTL1
SCHEMBL2556954 0.79 L3MBTL1 (0.67) FFAR1LMNAL3MBTL1S1PR1S1PR3
SCHEMBL20799670 0.79 FFAR1 (0.65) FFAR1ESR1LMNAL3MBTL1S1PR1
SCHEMBL4833459 0.79 LMNA (0.42) FFAR1LMNAL3MBTL1S1PR1S1PR3
SCHEMBL10728695 0.78 PLA2G4B (0.59) FFAR1LMNAL3MBTL1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0689845-B1 Conjugates of methyltrithio antitumor agents and intermediates for their synthesis AMERICAN CYANAMID CO (US) 2002-09-04 EP disclosed
US-5877296-A REACTING DISULFIDE ANALOGS OF CALICHEAMICIN FAMILY WITH A CARRIER SUCH AS PROTEIN, PEPTIDE, MONO AND POLYCLONAL ANTIBODIES, THEIR ANTIGEN-RECOGNIZING FRAGMENTS AND CHEMICALLY OR GENETICALLY ENGINEERED COUNTERPARTS AMERICAN CYANAMID COMPANY (US) 1999-03-02 US disclosed
US-5773001-A ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-30 US disclosed
US-5767285-A USEFUL FOR CONSTRUCTING DRUG CONJUGATES; ANTIBIOTIC ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-16 US disclosed
US-5739116-A DISULFIDE DERIVATIVE OF CALICHEAMICIN FAMILY; ANTITUMOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-04-14 US disclosed
EP-0689845-A2 Conjugates of methyltrithio antitumor agents and intermediates for their synthesis AMERICAN CYANAMID COMPANY (US) 1996-01-03 EP disclosed