SCHEMBL31350964

SCHEMBL31350964

CC(CCl)C(=O)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
CHRNB2 P17787 1/20 0.52
SLC6A2 P23975 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
SLC6A3 Q01959 1/20 0.52
PARP1 P09874 1/20 0.49
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
PIK3CD O00329 1/20 0.44
GPR139 Q6DWJ6 1/20 0.43
LMNA P02545 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
ACHE P22303 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
SCHEMBL31351227 0.85 CES2 (0.54) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL31384110 0.81 CES2 (0.50) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL8697304 0.81 CES2 (0.50) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL8015553 0.80 CES2 (0.61) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL11806200 0.79 CES2 (0.45) CES2CES1SLC6A2SLC6A3HDAC1
SCHEMBL15007480 0.79 CES2 (0.64) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL2599161 0.79 CES2 (0.64) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL5883596 0.79 CES2 (0.59) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL2736658 0.78 PGR (0.52) CES2CES1HDAC1HDAC6LMNA
SCHEMBL2736657 0.78 PGR (0.52) CES2CES1HDAC1HDAC6LMNA

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
EP-4748834-A1 NOVEL HYDRAZONE DERIVATIVE AND AGENT FOR AGRICULTURAL AND HORTICULTURAL USE CONTAINING SAME AS ACTIVE INGREDIENT Agro-Kanesho Co., Ltd. (JP) 2026-05-27 EP disclosed
WO-2025018390-A1 NOVEL HYDRAZONE DERIVATIVE AND AGENT FOR AGRICULTURAL AND HORTICULTURAL USE CONTAINING SAME AS ACTIVE INGREDIENT アグロカネショウ株式会社 2025-01-23 WO disclosed