SCHEMBL9655702

SCHEMBL9655702

COC=C(C(=O)OC)c1ccccc1CSc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL9703363 1.00 ANPEP (0.41) ANPEPEGFRERBB2MAPTALDH1A1
SCHEMBL8999280 0.87 L3MBTL1 (0.44) PPARGPPARA
SCHEMBL8999276 0.87 L3MBTL1 (0.44) PPARGPPARA
SCHEMBL9701732 0.85 L3MBTL1 (0.41) MAPTALDH1A1LMNAPPARGPPARA
SCHEMBL9655146 0.85 L3MBTL1 (0.41) MAPTALDH1A1LMNAPPARGPPARA
SCHEMBL9702194 0.84 PPARG (0.41) LMNAPPARGPPARA
SCHEMBL9654222 0.84 PPARG (0.41) LMNAPPARGPPARA
SCHEMBL10335735 0.80 TDP1 (0.39) ALDH1A1LMNAPPARGPPARA
SCHEMBL8159930 0.77 MRGPRX4 (0.42) MAPTALDH1A1LMNA
SCHEMBL8159935 0.77 MRGPRX4 (0.42) MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2229151-A None JP disclosed
EP-0379098-B1 SULFUR-BEARING ACRYLATE ESTERS, AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1992-07-22 EP disclosed
US-5118710-A SULFUR-CONTAINING ACRYLIC ESTERS AND FUNGICIDES CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
JP-H02229151-A SULFUR-CONTAINING ACRYLIC ESTER AND CONTROL OF FUNGI BASF AG 1990-09-11 JP disclosed
EP-0379098-A1 Sulfur-bearing acrylate esters, and fungicides containing them BASF Aktiengesellschaft (DE) 1990-07-25 EP disclosed