SCHEMBL9856754

SCHEMBL9856754

CNC(CC(Cc1cccc(OC)c1Cl)c1ccccc1)OC(=O)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
HSP90AA1 P07900 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1C3 P42330 1/20 0.36
OPRK1 P41145 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
Phenyl Propionic Acid SCHEMBL9856748 0.79 CTSG (0.43) HPGDCTSGCMA1HSP90AA1TAAR1
SCHEMBL9856745 0.69 SLC6A2 (0.43) HSP90AA1MEN1KMT2AAKR1C3OPRK1
SCHEMBL8900619 0.69 HPGD (0.48) HPGDTAAR1ALOX5MEN1KMT2A
SCHEMBL9857052 0.69 CTSB (0.42) HPGDMEN1KMT2A
SCHEMBL10595053 0.66 CTSB (0.44) HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL28439801 0.66 AKR1C3 (0.54) HPGDTAAR1ALOX5KMT2AAKR1C3
SCHEMBL9856989 0.65 SLC6A2 (0.46) MEN1KMT2A
SCHEMBL28283295 0.65 AKR1C3 (0.64) HPGDTAAR1ALOX5MEN1KMT2A
SCHEMBL9856790 0.64 HPGD (0.39) HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL2397158 0.64 LMNA (0.49) HPGDCTSGCMA1SMN1; SMN2

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
US-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed