SCHEMBL11241569

SCHEMBL11241569

CCCCCCON=C(C([NH])=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
PPARA Q07869 2/20 0.45
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
NAAA Q02083 1/20 0.43
TP53 P04637 1/20 0.43
TBXA2R P21731 4/20 0.43
PPARG P37231 1/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
TBXAS1 P24557 1/20 0.42
PLA2G4B P0C869 1/20 0.42

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
SCHEMBL11241565 1.00 CES2 (0.48) CES2CES1PPARATSHRALDH1A1
SCHEMBL11236194 0.99 CES2 (0.46) CES2CES1PPARATSHRALDH1A1
SCHEMBL11236197 0.99 CES2 (0.46) CES2CES1PPARATSHRALDH1A1
SCHEMBL11228210 0.94 ESR1 (0.45) CES2CES1PPARATSHRLMNA
SCHEMBL11243823 0.88 LMNA (0.49) CES2CES1PPARAALDH1A1LMNA
SCHEMBL11243827 0.88 LMNA (0.49) CES2CES1PPARAALDH1A1LMNA
SCHEMBL11241570 0.86 CES2 (0.48) CES2CES1PPARATSHRALDH1A1
SCHEMBL11236201 0.84 GAA (0.47) CES2CES1PPARATSHRALDH1A1
SCHEMBL11236778 0.82 SMN1; SMN2 (0.44) CES2CES1TSHRALDH1A1LMNA
SCHEMBL11228215 0.79 GAA (0.49) CES2CES1PPARATSHRLMNA

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-4342760-A ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1982-08-03 US disclosed
US-4264597-A FUNGICIDES FUJISAWA PHARMACEUTICAL CO., LTD., NO. 3, 4-CHOME, DOSHOMACHI, HIGASHI-KU, OSAKA, JAPAN 1981-04-28 US disclosed