SCHEMBL10489342

SCHEMBL10489342

CCCNC(=O)C(C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
EPHX1 P07099 2/20 0.40
MCL1 Q07820 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ECE1 P42892 2/20 0.37
MMP8 P22894 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RRM1 P23921 1/20 0.35

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
SCHEMBL24838593 0.83 EPHX1 (0.57) EPHX1DPP7MMP8SMN1; SMN2RRM1
SCHEMBL766600 0.82 USP2 (0.41) USP2TSHRMMP1MMP2MMP3
SCHEMBL22879249 0.82 USP2 (0.46) USP2TSHRMMP1MMP2MMP3
SCHEMBL12884398 0.81 USP2 (0.44) USP2TSHRMMP1MMP2MMP3
SCHEMBL21339126 0.80 TSHR (0.39) USP2TSHRMMP1MMP2MMP3
SCHEMBL17017534 0.80 TSHR (0.39) USP2TSHRMMP1MMP2MMP3
SCHEMBL100593 0.80
SCHEMBL25023271 0.80 TSHR (0.36) USP2TSHRDPP7MEN1KMT2A
SCHEMBL21661353 0.79 MEN1 (0.48) USP2TSHRMMP1MMP2MMP3
SCHEMBL25082565 0.79 MEN1 (0.48) USP2TSHRMMP1MMP2MMP3

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
US-4854973-A SHORT CHAIN CHLORINATED SOLVENTS NCH CORPORATION (US) 1989-08-08 US disclosed