SCHEMBL22135145

SCHEMBL22135145

CC(C)CCCNC(=O)NCC1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
PIK3CD O00329 1/20 0.38
EPHX1 P07099 4/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HTR4 Q13639 2/20 0.35
EPHX2 P34913 2/20 0.35
GAA P10253 2/20 0.35
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL22170084 0.91 RAB9A (0.42) PIK3CDEPHX1RAB9ANPC1HTR4
SCHEMBL22135056 0.85 EPHX1 (0.38) EPHX1RAB9AEPHX2GAAKDM4E
SCHEMBL16890334 0.80 EPHX1 (0.45) NAMPTEPHX1RAB9ANPC1EPHX2
SCHEMBL29306397 0.77 HSD17B10 (0.48) PIK3CDEPHX2KDM4EALDH1A1SMN1; SMN2
SCHEMBL11168376 0.77 EPHX1 (0.53) EPHX1EPHX2GAAKDM4ESMN1; SMN2
SCHEMBL20666095 0.76 HTT (0.43) PIK3CDEPHX1RAB9ANPC1HTR4
SCHEMBL22135151 0.76 KDM4E (0.40) PIK3CDRAB9ANPC1GAAKDM4E
SCHEMBL13853551 0.74 NPC1 (0.42) NAMPTEPHX1RAB9ANPC1EPHX2
SCHEMBL12764359 0.73 NPC1 (0.39) NAMPTPIK3CDRAB9ANPC1HTR4
SCHEMBL23848111 0.73 EPHX1 (0.46) EPHX1RAB9ANPC1EPHX2KDM4E

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-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed