SCHEMBL8938098

SCHEMBL8938098

CCOC(NCC(O)c1cccc(C(F)(F)F)c1)(C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CES2 O00748 1/20 0.41
ACP3 P15309 1/20 0.41
BCHE P06276 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
SCHEMBL9262043 0.91 PNMT (0.48) PNMTPOLBMEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8938092 0.90 PNMT (0.47) PNMTPOLBMEN1ALDH1A1CYP1A2
SCHEMBL9262048 0.80 PNMT (0.48) PNMTPOLBMEN1ALDH1A1CYP1A2
SCHEMBL8938148 0.79 BCAT2 (0.39) POLB
SCHEMBL9257281 0.78 BCAT2 (0.49) POLBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9640681 0.78 PNMT (0.59) PNMTCYP3A4CYP2C9KMT2AADRB2
SCHEMBL4447858 0.76 PNMT (0.51) PNMTPOLBMEN1ALDH1A1CYP1A2
SCHEMBL4440894 0.75 PNMT (0.59) PNMTPOLBMEN1ALDH1A1CYP1A2
SCHEMBL4437771 0.75 PNMT (0.59) PNMTPOLBMEN1ALDH1A1CYP1A2
SCHEMBL257275 0.71 PNMT (0.51) PNMTALDH1A1ADRB2ADRB1CES2

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-5502078-A Chemical compounds ZENECA LIMITED (GB) 1996-03-26 US disclosed