SCHEMBL9791103

SCHEMBL9791103

CSc1ccc(CCCc2ccccc2)cc1C=CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 6/20 0.48
▸ PTGER2 P43116 6/20 0.48
▸ TBXA2R P21731 3/20 0.48
▸ PTGDR Q13258 3/20 0.48
▸ LTB4R Q15722 3/20 0.46
▸ LTB4R2 Q9NPC1 3/20 0.46
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 1/20 0.45
▸ EGFR P00533 1/20 0.43
▸ PTGER4 P35408 5/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ ALOX5 P09917 2/20 0.41
▸ PTGFR P43088 2/20 0.40
▸ PTGER1 P34995 2/20 0.40
▸ ITGB2 P05107 1/20 0.40
▸ ICAM1 P05362 1/20 0.40
▸ ITGAL P20701 1/20 0.40
▸ PTGIR P43119 1/20 0.40
▸ AKR1B10 O60218 1/20 0.39

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
SCHEMBL9791098 1.00 PTGER3 (0.48) PTGER3PTGER2TBXA2RPTGDRLTB4R
Hydrochloric Acid SCHEMBL9791004 0.99 PTGER3 (0.47) PTGER3PTGER2TBXA2RPTGDRLTB4R
SCHEMBL9791000 0.90 BACE1 (0.41) PTGER3PTGER2TBXA2RPTGDRLTB4R
SCHEMBL9790996 0.90 BACE1 (0.41) PTGER3PTGER2TBXA2RPTGDRLTB4R
SCHEMBL9790982 0.87 ALOX5 (0.46) LTB4RLTB4R2BACE1ALOX5
SCHEMBL9790978 0.87 ALOX5 (0.46) LTB4RLTB4R2BACE1ALOX5
SCHEMBL9791241 0.86 ATG4B (0.51) —
SCHEMBL9791242 0.86 ATG4B (0.51) —
Hydrochloric Acid SCHEMBL9791144 0.85 ATG4B (0.50) —
SCHEMBL9791104 0.82 PTGER3 (0.49) PTGER3PTGER2TBXA2RPTGDRLTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028629-A 2-(Substituted)-N-Hydroxy-N-Alkylcinnamamides ELI LILLY AND COMPANY (US) 1991-07-02 — — US disclosed
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