SCHEMBL26319748

SCHEMBL26319748

COC(=O)N1CCCC1C(=O)NC(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
TSHR P16473 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
CTRB1 P17538 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL34474113 0.84 SMN1; SMN2 (0.57) ALDH1A1LMNANPSR1KDM4EKMT2A
SCHEMBL16529713 0.83 ACE (0.44) RAB9ATSHRLMNAKDM4EKMT2A
SCHEMBL13124665 0.81 ACE (0.46) TSHRLMNAKDM4EKMT2AMEN1
SCHEMBL30599979 0.79 POLB (0.58) RAB9ATSHRALDH1A1GAALMNA
SCHEMBL31257712 0.79 RAB9A (0.61) RAB9AALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL13864545 0.79 RAB9A (0.45) RAB9ATSHRHTTALDH1A1MAPK1
SCHEMBL9169937 0.79 RAB9A (0.61) RAB9AALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL9169924 0.79 RAB9A (0.61) RAB9AALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL9546469 0.79 POLB (0.58) RAB9ATSHRALDH1A1GAALMNA
SCHEMBL10299169 0.78 ELANE (0.51) CYP2C9

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-2023164057-A1 DI-CYCLOPROPYL BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-08-31 WO disclosed