SCHEMBL11228208

SCHEMBL11228208

CCCCO/N=C(/C([NH])=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
PPARA Q07869 6/20 0.44
LMNA P02545 1/20 0.42
PPARG P37231 5/20 0.42
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TBXA2R P21731 4/20 0.41
TBXAS1 P24557 4/20 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
SCHEMBL11228210 1.00 ESR1 (0.45) ESR1CES2CES1PPARALMNA
SCHEMBL11236197 0.95 CES2 (0.46) CES2CES1PPARALMNAPPARG
SCHEMBL11236194 0.95 CES2 (0.46) CES2CES1PPARALMNAPPARG
SCHEMBL11241565 0.94 CES2 (0.48) CES2CES1PPARALMNAPPARG
SCHEMBL11241569 0.94 CES2 (0.48) CES2CES1PPARALMNAPPARG
SCHEMBL11243827 0.91 LMNA (0.49) CES2CES1PPARALMNAPPARG
SCHEMBL11243823 0.91 LMNA (0.49) CES2CES1PPARALMNAPPARG
SCHEMBL11228215 0.85 GAA (0.49) ESR1CES2CES1PPARALMNA
SCHEMBL11236782 0.84 SMN1; SMN2 (0.44) CES2CES1LMNATSHRTDP1
SCHEMBL11236778 0.84 SMN1; SMN2 (0.44) CES2CES1LMNATSHRTDP1

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