SCHEMBL19529482

SCHEMBL19529482

CCC(=O)C1(CC)CC2CC(C)C(NC(=O)c3cccc(N)c3)C(C2)C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ HSD11B1 P28845 18/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL16684381 0.73 HSD11B1 (0.66) HSD11B1
SCHEMBL16666728 0.72 HSD11B1 (0.52) HSD11B1
SCHEMBL16684444 0.72 HSD11B1 (0.52) HSD11B1
SCHEMBL7093602 0.64 FAAH (0.72) KDM4EALDH1A1
SCHEMBL1150351 0.62 USP2 (0.52) DDB1CRBNHSD11B1KDM4EALDH1A1
SCHEMBL16684382 0.62 HSD11B1 (0.71) HSD11B1
SCHEMBL31396745 0.62 SMYD3 (0.58) DDB1CRBNALDH1A1
SCHEMBL3646204 0.62 SMYD3 (0.61) DDB1CRBNKDM4E
SCHEMBL27821167 0.62 KMT2A (0.72) DDB1CRBN
SCHEMBL2208370 0.61 PBRM1 (0.55) KDM4EALDH1A1

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-2865664-B1 NOVEL COMPOUND HAVING ABILITY TO INHIBIT 11B-HSD1 ENZYME OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT BAMICHEM CO LTD (KR) 2017-11-01 — — EP disclosed
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