SCHEMBL10348290

SCHEMBL10348290

C=CCOC(=O)C(N)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CASP1 P29466 5/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
GRIK1 P39086 2/20 0.42
FAAH O00519 2/20 0.42
MGLL Q99685 1/20 0.42
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
LMNA P02545 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
SCHEMBL8697093 1.00 CYP3A4 (0.46) CYP3A4CASP1ALDH1A1TSHRHSD17B10
SCHEMBL4711848 1.00 CYP3A4 (0.46) CYP3A4CASP1ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL14332245 0.98 CYP3A4 (0.45) CYP3A4CASP1ALDH1A1TSHRHSD17B10
SCHEMBL9879139 0.91 GRIK1 (0.50) CYP3A4CASP1ALDH1A1TSHRHSD17B10
SCHEMBL1079463 0.84 ALPI (0.56) CYP3A4CASP1ALDH1A1TSHRHSD17B10
SCHEMBL2515423 0.84 ALPI (0.56) CYP3A4CASP1ALDH1A1TSHRHSD17B10
SCHEMBL1692431 0.84 ALPI (0.56) CYP3A4CASP1ALDH1A1TSHRHSD17B10
SCHEMBL9770144 0.83 CYP3A4 (0.47) CYP3A4CASP1ALDH1A1TSHRHSD17B10
SCHEMBL25261652 0.82 ALDH1A1 (0.45) CYP3A4CASP1ALDH1A1TSHRHSD17B10
SCHEMBL14365481 0.82 ALDH1A1 (0.45) CYP3A4CASP1ALDH1A1TSHRHSD17B10

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
EP-0364016-A1 Polyphosphazene polymers and their preparation Stichting Biomaterials Science Center, VU, "BSC-VU" (NL) 1990-04-18 EP disclosed