SCHEMBL9791128

SCHEMBL9791128

CCCCc1ccccc1/C=C/C(O)=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 5/20 0.41
▸ PTGER2 P43116 5/20 0.41
▸ PTGER4 P35408 4/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ IAPP P10997 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PTGER1 P34995 1/20 0.35
▸ CYSLTR2 Q9NS75 1/20 0.35
▸ CYSLTR1 Q9Y271 1/20 0.35
▸ BID P55957 3/20 0.35
▸ MCL1 Q07820 3/20 0.35
▸ BCL2L1 Q07817 2/20 0.35
▸ BAK1 Q16611 2/20 0.35
▸ KAT8 Q9H7Z6 2/20 0.35

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
SCHEMBL9791124 1.00 PTGER3 (0.41) PTGER3PTGER2PTGER4CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9791028 0.98 PTGER3 (0.41) PTGER3PTGER2PTGER4CYP3A4CYP2D6
SCHEMBL9791021 0.86 CYP3A4 (0.40) PTGER3PTGER2PTGER4CYP3A4CYP2D6
SCHEMBL9791025 0.86 CYP3A4 (0.40) PTGER3PTGER2PTGER4CYP3A4CYP2D6
SCHEMBL1542126 0.84 PTGER3 (0.56) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL7530108 0.84 PTGER3 (0.56) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL8702148 0.84 PTGER3 (0.56) PTGER3PTGER2PTGER4TBXA2RPTGDR
Alcohol SCHEMBL17474327 0.81 PTGER3 (0.55) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL9725168 0.81 LMNA (0.53) PTGER3PTGER2PTGER4CYP3A4CYP2D6
SCHEMBL2989498 0.80 MAPT (0.52) PTGER3PTGER2PTGER4CYP3A4LMNA

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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