SCHEMBL9734634

SCHEMBL9734634

C[Si](C)(C)c1cc(C(O)CCCCCCCCCCCC(=O)O)co1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.44
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
PTGER2 P43116 6/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
TBXAS1 P24557 1/20 0.38
TBXA2R P21731 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TRPA1 O75762 1/20 0.36
NR4A2 P43354 1/20 0.36

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
SCHEMBL9671527 0.82 CA2 (0.40) LTB4RFFAR1PTGER2ALDH1A1
SCHEMBL9670027 0.79 ADRB2 (0.36) LTB4RALDH1A1
SCHEMBL9671433 0.78 FAAH (0.44) TRPA1
Cyclohexane SCHEMBL10651191 0.77 CA2 (0.36) LTB4RPTGER2PTGER4PTGER3ALDH1A1
SCHEMBL9670240 0.72 GPR52 (0.37)
SCHEMBL6907990 0.70 TBXAS1 (0.58) LTB4RFFAR4FFAR1TBXAS1TBXA2R
SCHEMBL9308449 0.70 TBXAS1 (0.58) LTB4RFFAR4FFAR1TBXAS1TBXA2R
SCHEMBL6907995 0.70 TBXAS1 (0.58) LTB4RFFAR4FFAR1TBXAS1TBXA2R
SCHEMBL8742992 0.69 TBXA2R (0.58) LTB4RFFAR4FFAR1PTGER2PTGER4
SCHEMBL8743003 0.69 TBXA2R (0.58) LTB4RFFAR4FFAR1PTGER2PTGER4

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-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP disclosed