SCHEMBL21784784

SCHEMBL21784784

CC(C(=O)O)c1ccccc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP12 P39900 2/20 0.42
MMP13 P45452 2/20 0.42
MMP14 P50281 2/20 0.42
MMP16 P51512 2/20 0.42
CXCL8 P10145 2/20 0.42
MMP1 P03956 1/20 0.42
PTGS2 P35354 9/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
PTGS1 P23219 6/20 0.41
GBA1 P04062 1/20 0.40
GLP1R P43220 2/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MMP3 P08254 1/20 0.37

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
SCHEMBL2653447 0.93 PTGDR2 (0.44) MMP2MMP9MMP8MMP12MMP13
SCHEMBL28565924 0.92 PTGDR2 (0.47) MMP2MMP9MMP8MMP12MMP13
SCHEMBL10810341 0.82 CXCL8 (0.38) MMP2MMP9MMP8MMP12MMP13
SCHEMBL3673539 0.81 ADRA2A (0.39) ADRA2AADRA2BADRA2CGBA1SLC6A2
SCHEMBL27614694 0.79 GPR119 (0.53) MAPTSMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL28068538 0.79 PTGDR2 (0.36) ADRA2AADRA2BADRA2CGBA1HSD17B10
SCHEMBL2204495 0.78 PTGS2 (0.56) MMP2MMP9MMP8MMP12MMP13
SCHEMBL4618238 0.78 PTGDR2 (0.41) CXCL8PTGS2PTGS1GLP1RMAPT
SCHEMBL18448149 0.77 ADRA2A (0.45) ADRA2AADRA2BADRA2CPTGS1GBA1
SCHEMBL27565324 0.77 HTR2C (0.51) ADRA2AADRA2BADRA2CSLC6A2SLC6A4

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-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed