SCHEMBL9852458

SCHEMBL9852458

CCCCCCCCCCC1(O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
MMP3 P08254 1/20 0.37
POLA1 P09884 2/20 0.37
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
PPARG P37231 3/20 0.36
DNTT P04053 1/20 0.36
POLB P06746 1/20 0.36
HTR1A P08908 5/20 0.35
DRD2 P14416 5/20 0.35
DRD1 P21728 5/20 0.35
DRD4 P21917 5/20 0.35
DRD5 P21918 5/20 0.35
DRD3 P35462 5/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL10346699 0.81 MMP2 (0.39) OPRM1OPRD1OPRK1OPRL1MMP2
SCHEMBL8780389 0.81 MMP2 (0.40) OPRM1OPRD1OPRK1OPRL1MMP2
SCHEMBL4184927 0.81 PPARG (0.39) MMP2MMP9MMP3MMP8MMP13
SCHEMBL9746013 0.81 PPARG (0.39) MMP2MMP9MMP3MMP8MMP13
SCHEMBL10440676 0.81 PPARG (0.39) MMP2MMP9MMP3MMP8MMP13
SCHEMBL4183418 0.81 PPARG (0.39) MMP2MMP9MMP3MMP8MMP13
SCHEMBL4181876 0.81 PPARG (0.39) MMP2MMP9MMP3MMP8MMP13
SCHEMBL6060426 0.80 MMP2 (0.33) MMP2MMP9MMP3MMP8MMP13
SCHEMBL8780385 0.80 PPARG (0.39) MMP2MMP9MMP3MMP8MMP13
SCHEMBL9852424 0.80 NPC1 (0.39) MMP2MMP9MMP3MMP8MMP13

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
EP-0422996-A2 Liquid crystal compound Showa Shell Sekiyu Kabushiki Kaisha (JP) 1991-04-17 EP disclosed