SCHEMBL14024615

SCHEMBL14024615

C=C(OC(C)(C)C)N1C(C(=O)I)CS[C@@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.42
▸ FFAR2 O15552 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ RIPK1 Q13546 1/20 0.39
▸ RORC P51449 1/20 0.35
▸ ABCB1 P08183 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
SCHEMBL13091697 0.88 ABCB1 (0.44) HSD17B10FFAR2POLBMEN1ALDH1A1
SCHEMBL13101189 0.88 ABCB1 (0.44) HSD17B10FFAR2POLBMEN1ALDH1A1
SCHEMBL6185805 0.78 HSD17B10 (0.54) HSD17B10FFAR2POLBMEN1ALDH1A1
SCHEMBL14024616 0.78 HSD17B10 (0.54) HSD17B10FFAR2POLBMEN1ALDH1A1
SCHEMBL3072035 0.78 HSD17B10 (0.54) HSD17B10FFAR2POLBMEN1ALDH1A1
SCHEMBL13091656 0.78 HSD17B10 (0.54) HSD17B10FFAR2POLBMEN1ALDH1A1
SCHEMBL16775110 0.74 ABCB1 (0.46) HSD17B10FFAR2POLBMEN1ALDH1A1
SCHEMBL13091660 0.72 ABCB1 (0.43) HSD17B10FFAR2POLBMEN1ALDH1A1
SCHEMBL13091670 0.72 ABCB1 (0.43) HSD17B10FFAR2POLBMEN1ALDH1A1
SCHEMBL13091641 0.72 ABCB1 (0.43) HSD17B10FFAR2POLBMEN1ALDH1A1

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
WO-2008144747-A2 LIPOPROTEINS, LIPOPEPTIDES AND ANALOGS, AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-27 — — WO disclosed
Send feedback