SCHEMBL10594702

SCHEMBL10594702

CC=C(CCC(=O)OC)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ L3MBTL1 Q9Y468 5/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ GAA P10253 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
SCHEMBL10597310 1.00 KMT2A (0.44) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL9263357 0.81 KMT2A (0.60) KMT2AMAPTALDH1A1LMNAHTT
Dimethyl Succinate SCHEMBL28855651 0.78 TSHR (0.54) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL10595277 0.78 MAOA (0.47) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL27833185 0.77 L3MBTL1 (0.52) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL6809560 0.75 MAPT (0.51) KMT2AMAPTALDH1A1LMNAL3MBTL1
SCHEMBL7467309 0.75 TSHR (0.52) KMT2AMAPTALDH1A1LMNAL3MBTL1
SCHEMBL22504118 0.74 LMNA (0.50) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL1531237 0.73 ERCC5 (0.58) KMT2AMAPTALDH1A1LMNAL3MBTL1
SCHEMBL5212344 0.72 MDM2 (0.45) KMT2AMAPTALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0089100-B1 AZOLYL DERIVATIVES AS FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 — — EP disclosed
US-4518415-A PLANT GROWTH REGULATORS, FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-05-21 — — US disclosed
EP-0089100-A2 Azolyl derivatives as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-09-21 — — EP disclosed
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