SCHEMBL30754693

SCHEMBL30754693

CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.58
PREP P48147 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
CTSK P43235 5/20 0.51
GFER P55789 1/20 0.51
REN P00797 1/20 0.51
CTSL P07711 3/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.49
MEN1 O00255 1/20 0.49
CTSS P25774 2/20 0.49
ELANE P08246 1/20 0.49

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
SCHEMBL7918687 1.00 CTRB1 (0.58) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL27280340 0.88 CTRB1 (0.60) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL11167632 0.88 CTRB1 (0.64) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL11450738 0.88 CTRB1 (0.64) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL11167627 0.88 CTRB1 (0.64) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL24513611 0.88 CTRB1 (0.64) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL7106091 0.88 CTRB1 (0.64) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL5859001 0.88 CTRB1 (0.56) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL7920393 0.88 CTRB1 (0.58) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL11781980 0.87 CTRB1 (0.63) CTRB1PREPNPSR1KMT2ATSHR

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-2024028417-A1 NEW COMPOSITION FOR THE TREATMENT AND/OR PREVENTION OF VITILIGO Institut National de la Santé et de la Recherche Médicale (FR) 2024-02-08 WO disclosed