SCHEMBL30939743

SCHEMBL30939743

O=CCNC(=O)Oc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.41
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL30014701 0.81 KDM4E (0.50) FAAHCYP4F2CYP4A11POLBMAPT
SCHEMBL15763924 0.75 CYP4F2 (0.45) CYP4F2CYP4A11CES2CES1MAPT
SCHEMBL1991907 0.70 CYP4F2 (0.64) CYP4F2CYP4A11CES2CES1POLB
SCHEMBL28015642 0.70 CES2 (0.45) CYP4F2CYP4A11CES2CES1MAPT
SCHEMBL1997019 0.69 CYP4F2 (0.46) CYP4F2CYP4A11CES2CES1
SCHEMBL10180753 0.69 CES2 (0.41) CYP4F2CYP4A11CES2CES1POLB
SCHEMBL27569618 0.69 CYP4F2 (0.42) CYP4F2CYP4A11CES2CES1MAPT
SCHEMBL2555360 0.68 CTSS (0.53) CES2CES1POLB
SCHEMBL10202753 0.68 MAPT (0.46) FAAHCYP4F2CYP4A11POLBMAPT
SCHEMBL10179544 0.67 CES2 (0.42) CYP4F2CYP4A11CES2CES1MAPT

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
CN-113831266-B Synthesis of alkyl 1- (2, 5-difluorophenyl) -1-oxopent-4-yn-2-ylcarbamate 河南医学高等专科学校 2024-04-05 CN claimed
CN-113831266-B Synthesis of alkyl 1- (2, 5-difluorophenyl) -1-oxopent-4-yn-2-ylcarbamate 河南医学高等专科学校 2024-04-05 CN disclosed