SCHEMBL18790940

SCHEMBL18790940

CC(C)CC(NC(=O)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.63
S1PR4 O95977 2/20 0.60
S1PR1 P21453 1/20 0.60
ACE P12821 1/20 0.59
MAPT P10636 4/20 0.58
ALDH1A1 P00352 3/20 0.57
NTSR1 P30989 1/20 0.57
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RECQL P46063 1/20 0.57
CTSL P07711 3/20 0.56
CTSB P07858 1/20 0.56
CTSS P25774 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
NPC1 O15118 1/20 0.55

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
SCHEMBL18775039 1.00 CTSK (0.63) CTSKS1PR4S1PR1ACEMAPT
SCHEMBL29272932 0.92 S1PR4 (0.56) CTSKS1PR4S1PR1MAPTALDH1A1
SCHEMBL29272930 0.92 S1PR4 (0.56) CTSKS1PR4S1PR1MAPTALDH1A1
SCHEMBL29272857 0.90 S1PR4 (0.54) CTSKS1PR4S1PR1MAPTALDH1A1
SCHEMBL29272856 0.90 S1PR4 (0.54) CTSKS1PR4S1PR1MAPTALDH1A1
SCHEMBL11432342 0.87 CTSK (0.61) CTSKS1PR4S1PR1MAPTALDH1A1
SCHEMBL16272916 0.86 CTSK (0.76) CTSKCTSLCTSBCTSS
SCHEMBL18775048 0.86 CTSK (0.60) CTSKS1PR4S1PR1MAPTALDH1A1
SCHEMBL25634730 0.86 CTSK (0.60) CTSKS1PR4S1PR1MAPTALDH1A1
SCHEMBL839616 0.86 CTSL (0.59) CTSKCTSLCTSBCTSSTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116370448-A Modulators of SESTRIN-GATOR2 interactions and uses thereof 纳维托制药有限公司 2023-07-04 CN disclosed
CN-110809467-B Modulators of SESTRIN-GATOR2 interactions and uses thereof 纳维托制药有限公司 2023-03-10 CN disclosed
EP-4112611-A2 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2023-01-04 EP disclosed
EP-3364958-B1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF NAVITOR PHARM INC (US) 2023-01-04 EP disclosed
CN-110809467-A Modulators of SESTRIN-GATOR2 interaction and uses thereof 纳维托制药有限公司 2020-02-18 CN disclosed
WO-2017070518-A1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2017-04-27 WO disclosed