SCHEMBL9791104

SCHEMBL9791104

Cc1ccc(CCCc2ccccc2)cc1/C=C/C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 6/20 0.49
▸ PTGER2 P43116 6/20 0.49
▸ PTGER4 P35408 5/20 0.49
▸ LTB4R Q15722 3/20 0.48
▸ LTB4R2 Q9NPC1 3/20 0.48
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ EGFR P00533 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ TBXA2R P21731 3/20 0.43
▸ PTGDR Q13258 3/20 0.43
▸ PTGFR P43088 2/20 0.43
▸ PTGER1 P34995 2/20 0.42
▸ PTGIR P43119 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ LMNA P02545 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
SCHEMBL9791243 0.84 ATG4B (0.55) —
SCHEMBL9791098 0.82 PTGER3 (0.48) PTGER3PTGER2PTGER4LTB4RLTB4R2
SCHEMBL9791103 0.82 PTGER3 (0.48) PTGER3PTGER2PTGER4LTB4RLTB4R2
Hydrochloric Acid SCHEMBL9791004 0.81 PTGER3 (0.47) PTGER3PTGER2PTGER4LTB4RLTB4R2
SCHEMBL3688787 0.77 HDAC1 (0.62) TAAR1CA1CA2CA4LMNA
SCHEMBL3251665 0.76 PTGER3 (0.64) PTGER3PTGER2PTGER4TAAR1ALOX5
SCHEMBL16975581 0.75 ALDH1A1 (0.61) PTGER3PTGER2PTGER4LTB4RLTB4R2
SCHEMBL16975580 0.75 ALDH1A1 (0.61) PTGER3PTGER2PTGER4LTB4RLTB4R2
SCHEMBL9791064 0.74 SMN1; SMN2 (0.51) HDAC8HDAC1
SCHEMBL3105298 0.73 HDAC1 (0.62) TAAR1CA1CA2CA4LMNA

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
Send feedback