SCHEMBL3830145

SCHEMBL3830145

CC(C)OC(=O)N1C=CC=CC=CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX4 Q99571 1/20 0.32
BCHE P06276 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL3830139 1.00 ALDH1A1 (0.32) ALDH1A1HPGDSMN1; SMN2P2RX4BCHE
SCHEMBL6034344 0.98 ALDH1A1 (0.33) ALDH1A1HPGDSMN1; SMN2P2RX4BCHE
SCHEMBL3588715 0.77 MAPK1 (0.35) SMN1; SMN2TSHR
SCHEMBL27930086 0.76 RAB9A (0.38) ALDH1A1HPGDSMN1; SMN2P2RX4TSHR
SCHEMBL4540593 0.74
SCHEMBL4771331 0.74 TSHR (0.35) ALDH1A1SMN1; SMN2TSHR
SCHEMBL3797610 0.73
Hydrochloric Acid SCHEMBL4774116 0.73 TSHR (0.34) ALDH1A1SMN1; SMN2TSHR
SCHEMBL1838102 0.73 PREP (0.37) ALDH1A1HPGDSMN1; SMN2BCHE
SCHEMBL5771784 0.72 TSHR (0.39) ALDH1A1HPGDSMN1; SMN2P2RX4BCHE

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-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP claimed