SCHEMBL11602477

SCHEMBL11602477

CCCCCC(O)CCCN(CCCCCCC(=O)O)S(=O)(=O)CC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 3/20 0.71
▸ FFAR1 O14842 3/20 0.71
▸ FAAH O00519 1/20 0.51
▸ GPR84 Q9NQS5 7/20 0.50
▸ PPARG P37231 6/20 0.50
▸ PPARD Q03181 6/20 0.50
▸ PPARA Q07869 6/20 0.50
▸ HDAC11 Q96DB2 5/20 0.50
▸ TSHR P16473 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ TLR2 O60603 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ FABP4 P15090 2/20 0.50
▸ PTPN1 P18031 2/20 0.50
▸ SLC22A6 Q4U2R8 1/20 0.50
▸ SLC22A8 Q8TCC7 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ PDE4A P27815 1/20 0.50

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
SCHEMBL11603394 0.93 FFAR4 (0.65) FFAR4FFAR1FAAHGPR84PPARG
SCHEMBL11601264 0.90 FFAR4 (0.69) FFAR4FFAR1FAAHGPR84PPARG
SCHEMBL11602008 0.90 FFAR4 (0.69) FFAR4FFAR1FAAHGPR84PPARG
SCHEMBL11602010 0.90 FFAR4 (0.69) FFAR4FFAR1FAAHGPR84PPARG
SCHEMBL4964157 0.90 FFAR4 (0.69) FFAR4FFAR1FAAHGPR84PPARG
SCHEMBL11602705 0.87 FFAR4 (0.65) FFAR4FFAR1FAAHGPR84PPARG
Behenic Acid SCHEMBL28172988 0.86 FFAR4 (0.96) FFAR4FFAR1GPR84PPARGPPARD
Palmitic Acid SCHEMBL28172999 0.86 FFAR4 (0.96) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL25190974 0.84 FFAR4 (1.00) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL22400853 0.84 FFAR4 (0.92) FFAR4FFAR1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4033996-A RENAL VASODILATORS, ANTITHROMBOSIS, GROWTH HORMONE RELEASING MERCK & CO., INC. (US) 1977-07-05 — — US claimed
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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