SCHEMBL9842466

SCHEMBL9842466

CCCCCC1(F)C=CC(c2ccccc2)C(F)=C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.31
MMP9 P14780 3/20 0.31
MMP3 P08254 1/20 0.31
KDM1A O60341 2/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL9842735 0.99 MMP2 (0.33) MMP2MMP9MMP3KDM1AMAOA
SCHEMBL9842648 0.99 MMP2 (0.33) MMP2MMP9MMP3KDM1AMAOA
SCHEMBL9842519 0.99 MMP2 (0.33) MMP2MMP9MMP3KDM1AMAOA
SCHEMBL9842751 0.99 MMP2 (0.33) MMP2MMP9MMP3KDM1AMAOA
SCHEMBL9842408 0.99 MMP2 (0.33) MMP2MMP9MMP3KDM1AMAOA
SCHEMBL9842543 0.83
SCHEMBL9842380 0.83
SCHEMBL9593781 0.82 KDM1A (0.33) MMP2MMP9MMP3KDM1AMAOA
SCHEMBL9842567 0.82 USP2 (0.31)
SCHEMBL9842613 0.80

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
EP-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed