SCHEMBL9842408

SCHEMBL9842408

CCCCCCC1(F)C=CC(c2ccccc2)C(F)=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.33
MMP9 P14780 4/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 2/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
EPHX2 P34913 1/20 0.31
PKM P14618 1/20 0.31
PPARG P37231 3/20 0.30
KDM4E B2RXH2 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
SCHEMBL9842648 1.00 MMP2 (0.33) MMP2MMP9MMP3MMP8MMP13
SCHEMBL9842735 1.00 MMP2 (0.33) MMP2MMP9MMP3MMP8MMP13
SCHEMBL9842519 1.00 MMP2 (0.33) MMP2MMP9MMP3MMP8MMP13
SCHEMBL9842751 1.00 MMP2 (0.33) MMP2MMP9MMP3MMP8MMP13
SCHEMBL9842466 0.99 MMP2 (0.31) MMP2MMP9MMP3MMP8MMP13
SCHEMBL9842567 0.83 USP2 (0.31) ALDH1A1
SCHEMBL9842543 0.82
SCHEMBL9593781 0.81 KDM1A (0.33) MMP2MMP9MMP3MMP8MMP13
SCHEMBL4178861 0.80 PPARG (0.35) MMP2MMP9MMP3MMP8MMP13
SCHEMBL11996455 0.78 MMP2 (0.32) 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 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