SCHEMBL11602008

SCHEMBL11602008

CCCCC[C@H](O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.69
▸ FFAR1 O14842 2/20 0.69
▸ FAAH O00519 1/20 0.50
▸ TBXA2R P21731 1/20 0.49
▸ PTGFR P43088 1/20 0.49
▸ PTGER2 P43116 1/20 0.49
▸ GPR84 Q9NQS5 6/20 0.49
▸ PPARG P37231 3/20 0.49
▸ PPARD Q03181 3/20 0.49
▸ PPARA Q07869 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HDAC11 Q96DB2 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ SLC22A6 Q4U2R8 1/20 0.49
▸ SLC22A8 Q8TCC7 1/20 0.49
▸ TLR2 O60603 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ FABP4 P15090 1/20 0.49

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
SCHEMBL11601264 1.00 FFAR4 (0.69) FFAR4FFAR1FAAHTBXA2RPTGFR
SCHEMBL4964157 1.00 FFAR4 (0.69) FFAR4FFAR1FAAHTBXA2RPTGFR
SCHEMBL11602010 1.00 FFAR4 (0.69) FFAR4FFAR1FAAHTBXA2RPTGFR
SCHEMBL11602477 0.90 FFAR4 (0.71) FFAR4FFAR1FAAHTBXA2RPTGFR
SCHEMBL11601442 0.89 FFAR4 (0.51) FFAR4FFAR1FAAHGPR84MEN1
SCHEMBL11603394 0.86 FFAR4 (0.65) FFAR4FFAR1FAAHTBXA2RPTGFR
SCHEMBL11602705 0.86 FFAR4 (0.65) FFAR4FFAR1FAAHTBXA2RPTGFR
SCHEMBL11601867 0.86 KDM4C (0.49) FFAR4FFAR1
SCHEMBL11602265 0.86 ACE2 (0.51) FFAR4FFAR1FAAHGPR84
SCHEMBL11602268 0.85 L3MBTL1 (0.52) FFAR4FFAR1FAAHGPR84PPARG

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-4091107-A RENAL VASODILATORS, ANTICLOTTING AGENTS, GROWTH HORMONE RELEASE, REGULATORS OF IMMUNE RESPONSE MERCK & CO., INC. (US) 1978-05-23 — — US disclosed
US-4033996-A RENAL VASODILATORS, ANTITHROMBOSIS, GROWTH HORMONE RELEASING MERCK & CO., INC. (US) 1977-07-05 — — US disclosed
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