SCHEMBL22150235

SCHEMBL22150235

C=C(C)N1CCC(CCO)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.37
TYMP P19971 2/20 0.33
BRD4 O60885 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 2/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL21023599 0.83 GNAO1 (0.38) GNAI3GNAO1GNAI1
SCHEMBL21342942 0.81 AKR1C3 (0.39) AKR1C3TYMPMMP3MMP8GNAI3
SCHEMBL1501881 0.79 AKR1C3 (0.43) AKR1C3GNAI3GNAO1GNAI1
SCHEMBL14344736 0.79 CPN1 (0.41) AKR1C3TYMPBRD4MMP3MMP8
SCHEMBL22526178 0.79 HSD17B10 (0.33)
SCHEMBL22856502 0.79 GNAO1 (0.45) GNAI3GNAO1GNAI1
SCHEMBL13434207 0.78 BRD4 (0.38) AKR1C3BRD4
SCHEMBL22756299 0.78 EPHX2 (0.35) GNAI3GNAO1GNAI1
SCHEMBL13073774 0.77 AKR1C3 (0.37) AKR1C3GNAI3GNAO1GNAI1
SCHEMBL24258280 0.77 NCF1 (0.52)

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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed