Sugi Predict

Sugi Predict / Compounds / SCHEMBL13544827

SCHEMBL13544827

SCHEMBL13544827

CC(=O)CC1(CC(=O)NC2CC2)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 10/20 0.61
▸ EPHX1 P07099 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36

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
SCHEMBL13544562 0.84 HSD11B1 (0.63) HSD11B1SMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL2612029 0.79 ALDH1A1 (0.43) HSD11B1SMN1; SMN2KMT2AALDH1A1
SCHEMBL13544813 0.78 HSD11B1 (0.41) HSD11B1SMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL394283 0.78 HSD11B1 (0.58) HSD11B1EPHX1SMN1; SMN2NPSR1HPGD
Cyclohexane SCHEMBL4960596 0.77 CYP1A2 (0.46) HSD11B1SMN1; SMN2KMT2AALDH1A1
Cyclohexane SCHEMBL6664121 0.77 CYP1A2 (0.46) HSD11B1SMN1; SMN2KMT2AALDH1A1
Cyclohexane SCHEMBL1243556 0.77 CYP1A2 (0.46) HSD11B1SMN1; SMN2KMT2AALDH1A1
SCHEMBL11032622 0.77 CYP1A2 (0.46) HSD11B1SMN1; SMN2KMT2AALDH1A1
SCHEMBL3620868 0.76 HSD11B1 (1.00) HSD11B1EPHX1KMT2A
SCHEMBL3624059 0.75 HSD11B1 (1.00) HSD11B1EPHX1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed