SCHEMBL11511643

SCHEMBL11511643

CCCCCCCCCC(O)CC[S+]([O-])CCC(O)CCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.52
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NFKB1 P19838 1/20 0.48
CA2 P00918 1/20 0.42
FAAH O00519 1/20 0.41
FDPS P14324 3/20 0.41
SPHK1 Q9NYA1 1/20 0.41
CA1 P00915 1/20 0.41
PSMD14 O00487 1/20 0.41
PLA2G1B P04054 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MMP2 P08253 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL11504216 1.00 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1CA2
SCHEMBL11505351 1.00 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1CA2
SCHEMBL11504605 1.00 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1CA2
SCHEMBL6220054 0.98 NFKB1 (0.50) GPR84FFAR1FFAR4NFKB1CA2
SCHEMBL28693845 0.92 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL8214232 0.92 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL8587590 0.92 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL11866749 0.92 GPR84 (0.52) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL27284311 0.91 GPR84 (0.45) GPR84FFAR1FFAR4NFKB1CA2
SCHEMBL27814306 0.89 FFAR1 (0.50) GPR84FFAR1FFAR4NFKB1FAAH

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
CN-117396196-A Topical naproxen formulations and uses thereof 智能科技专题有限公司 2024-01-12 CN disclosed
US-4150114-A ENHANCED PENETRATION THE PROCTER & GAMBLE COMPANY (US) 1979-04-17 US disclosed
US-4130667-A A SUCROSE ESTER AND A PHOSPHINE OXIDE THE PROCTER & GAMBLE COMPANY (US) 1978-12-19 US disclosed
US-4130643-A STEROID, SUCROSE ESTER, SULFOXIDE THE PROCTER & GAMBLE COMPANY (US) 1978-12-19 US disclosed
US-4046886-A SUGAR ESTER, PHOSPHINE OXIDE THE PROCTER & GAMBLE COMPANY (US) 1977-09-06 US disclosed
US-3952099-A MICROBIOCIDE, SUGAR ESTER, SULFOXIDE THE PROCTER & GAMBLE COMPANY (US) 1976-04-20 US disclosed