SCHEMBL22607233

SCHEMBL22607233

CCC(C)CCC(C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 2/20 0.40
GABRR1 P24046 2/20 0.39
CYP1A2 P05177 1/20 0.34
BLM P54132 1/20 0.34
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
LTA4H P09960 1/20 0.31
EPHX1 P07099 1/20 0.31
BHMT Q93088 1/20 0.31

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
SCHEMBL8267266 0.86 BLM (0.45) ACE2CA1CA2GABRR1BLM
SCHEMBL15985631 0.81 GABRR1 (0.39) ACE2CA1CA2GABRR1CYP1A2
SCHEMBL14701889 0.80 ACE2 (0.59) ACE2CA2GABRR1CYP1A2BLM
SCHEMBL15062403 0.80 ACE2 (0.59) ACE2CA2GABRR1CYP1A2BLM
SCHEMBL24072902 0.79 CA2 (0.59) ACE2CA1CA2LMNACA12
SCHEMBL1785663 0.78 ACE2 (0.42) ACE2CA1GABRR1CYP1A2BLM
SCHEMBL17335573 0.78 CA1 (0.37) CA1CA2GABRR1EPHX1ENPEP
SCHEMBL17335568 0.78 CA1 (0.37) CA1CA2GABRR1EPHX1ENPEP
SCHEMBL20490015 0.78 ACE2 (0.42) ACE2CA1GABRR1CYP1A2BLM
SCHEMBL28458808 0.77 ACE2 (0.38) ACE2CA1CA2GABRR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020235585-A1 LIQUID FEED SYSTEM, LIQUID FEED CONTROL METHOD, AND LIQUID FEED DEVICE 積水化学工業株式会社 (JP) 2020-11-26 WO disclosed
EP-3083606-B1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA LP (US) 2020-10-28 EP disclosed