Sugi Predict

Sugi Predict / Compounds / SCHEMBL21035534

SCHEMBL21035534

SCHEMBL21035534

NC1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3cc(OC4CCCC4)ccc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 16/20 0.55
▸ TSHR P16473 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL21036267 0.86 GHSR (0.46) GHSRTSHRMEN1KMT2ALMNA
SCHEMBL21035076 0.85 GHSR (0.46) GHSRTSHRMEN1KMT2ALMNA
SCHEMBL21035115 0.85 GHSR (0.46) GHSRTSHRMEN1KMT2ALMNA
SCHEMBL21035532 0.84 GHSR (0.47) GHSRTSHRMEN1KMT2ALMNA
SCHEMBL21035113 0.84 GHSR (0.47) GHSRTSHRMEN1KMT2ALMNA
SCHEMBL21034938 0.84 ALDH1A1 (0.55) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL21034940 0.84 ALDH1A1 (0.55) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL21035106 0.82 GHSR (0.47) GHSRMEN1KMT2A
SCHEMBL21036265 0.82 MMP1 (0.48) GHSR
SCHEMBL21035533 0.81 CASP3 (0.56) TSHRALDH1A1MEN1KMT2ALMNA

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-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 — — WO disclosed