SCHEMBL11592255

SCHEMBL11592255

CCCCCCCCCC1(Oc2ccccc2)CC(C)(O)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.40
MMP9 P14780 5/20 0.40
MMP8 P22894 3/20 0.40
MMP13 P45452 3/20 0.40
MMP3 P08254 2/20 0.40
OPRK1 P41145 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRL1 P41146 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.36
LTA4H P09960 2/20 0.36
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
ESR1 P03372 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 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
SCHEMBL8041834 1.00 MMP2 (0.40) MMP2MMP9MMP8MMP13MMP3
Methyl Alcohol SCHEMBL11123438 0.81 MMP2 (0.42) MMP2MMP9MMP8MMP13MMP3
SCHEMBL5416450 0.81 MMP2 (0.44) MMP2MMP9MMP8MMP13MMP3
SCHEMBL11499462 0.81 MMP2 (0.44) MMP2MMP9MMP8MMP13MMP3
SCHEMBL7721179 0.81 MMP2 (0.44) MMP2MMP9MMP8MMP13MMP3
Alcohol SCHEMBL8073598 0.80 MMP2 (0.41) MMP2MMP9MMP8MMP13MMP3
SCHEMBL287632 0.78 MMP2 (0.42) MMP2MMP9MMP8MMP13MMP3
SCHEMBL1878427 0.78 MMP2 (0.42) MMP2MMP9MMP8MMP13MMP3
SCHEMBL289725 0.78 MMP2 (0.42) MMP2MMP9MMP8MMP13MMP3
SCHEMBL498620 0.78 MMP2 (0.42) MMP2MMP9MMP8MMP13MMP3

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-4075265-A THERMOPLASTIC MONSANTO RESEARCH CORPORATION (US) 1978-02-21 US disclosed