SCHEMBL7338878

SCHEMBL7338878

O=C(OCc1ccccc1)OC(=O)[C@]1(Oc2ccc(-c3ccccc3)cc2)CCCN1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
NAAA Q02083 1/20 0.37
EPHX1 P07099 1/20 0.37
FFAR1 O14842 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL7342095 0.87 ALOX5 (0.39) DDB1CRBNMEN1HTTGFER
SCHEMBL11435272 0.84 DDB1 (0.41) DDB1CRBNKMT2A
SCHEMBL1150970 0.83 DDB1 (0.41) DDB1CRBN
SCHEMBL10390213 0.83 HTR2A (0.43) HTT
SCHEMBL8860733 0.79 DDB1 (0.38) DDB1CRBN
SCHEMBL7347613 0.79 CTSK (0.33) FFAR1MEN1KMT2A
SCHEMBL7342749 0.77 CTSK (0.33)
SCHEMBL71530 0.77 DDB1 (0.46) DDB1CRBNKMT2A
SCHEMBL8907523 0.77 DDB1 (0.46) DDB1CRBNKMT2A
SCHEMBL1150916 0.76 DDB1 (0.42) DDB1CRBNKMT2A

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-4316906-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed