SCHEMBL25794823

SCHEMBL25794823

CCOc1cc(F)ccc1C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
FFAR4 Q5NUL3 1/20 0.60
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
MRGPRX1 Q96LB2 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
HCRTR1 O43613 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL16616127 0.88 TDP1 (0.57) TDP1FFAR4KMT2AMEN1KDM4E
SCHEMBL1546433 0.87 TSHR (0.54) TDP1FFAR4KMT2AMEN1KDM4E
SCHEMBL28052851 0.87 FFAR4 (0.60) TDP1FFAR4KMT2AMEN1KDM4E
SCHEMBL187037 0.86 FFAR4 (0.59) TDP1FFAR4KMT2AMEN1KDM4E
SCHEMBL17535871 0.85 TDP1 (0.51) TDP1FFAR4KMT2AMEN1KDM4E
SCHEMBL25344842 0.84 FFAR4 (0.57) TDP1FFAR4KMT2AMEN1KDM4E
SCHEMBL20509598 0.84 FFAR4 (0.64) TDP1FFAR4KMT2AMEN1SLC6A4
SCHEMBL15048810 0.83 TSHR (0.51) TDP1FFAR4KMT2AMEN1KDM4E
SCHEMBL30628273 0.83 CYP3A4 (0.61) TDP1FFAR4KMT2AKDM4EALDH1A1
SCHEMBL4271221 0.83 CYP3A4 (0.61) TDP1FFAR4KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023130050-A1 MONOACYLGLYCEROL LIPASE INHIBITORS AND USE THEREOF FOR THE TREATMENT AND MANAGEMENT OF PAIN PSY THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed