SCHEMBL17138109

SCHEMBL17138109

CCC(C)C(OO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ACE P12821 3/20 0.38
MME P08473 2/20 0.38
CPA1 P15085 2/20 0.38
ACE2 Q9BYF1 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
TP53 P04637 1/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
AKR1A1 P14550 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
SCHEMBL26940431 0.81 SLC1A3 (0.48) ALDH1A1ACEMMECPA1ACE2
SCHEMBL8085167 0.79 ALDH1A1 (0.38) ALDH1A1ACEMMECPA1ACE2
SCHEMBL26940424 0.79 ALDH1A1 (0.42) ALDH1A1ACEMMECPA1ACE2
SCHEMBL26940426 0.79 ALDH1A1 (0.38) ALDH1A1ACEMMECPA1ACE2
SCHEMBL8891068 0.77 TSHR (0.42) ALDH1A1ACEMMECPA1ACE2
SCHEMBL7533963 0.76 MMP1 (0.34) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8081881 0.76 ALDH1A1 (0.36) ALDH1A1ACEMMECPA1ACE2
SCHEMBL6447692 0.74 ALDH1A1 (0.35) ALDH1A1ACEMMECPA1ACE2
SCHEMBL21891771 0.74 CTSS (0.36) ALDH1A1ACEMMECPA1ACE2
SCHEMBL8072261 0.73 ATM (0.39) ALDH1A1ACE2TP53CA2MAPK1

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
US-9376694-B2 Method for preparing optically active amino acid using cosubstrate shuttling of transaminase INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-06-28 US disclosed
US-20150284750-A1 METHOD FOR PREPARING OPTICALLY ACTIVE AMINO ACID USING COSUBSTRATE SHUTTLING OF TRANSAMINASE INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2015-10-08 US disclosed