SCHEMBL9492991

SCHEMBL9492991

CCCCCC1(CCCCC)C=CC(c2ccc(-c3ccccc3)cc2)=C(F)C1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
HSD11B1 P28845 2/20 0.33
POLB P06746 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
RARB P10826 2/20 0.30
RARA P10276 1/20 0.30
RARG P13631 1/20 0.30
MMP3 P08254 1/20 0.30
PDE4B Q07343 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL9492969 0.99 MMP2 (0.40) MMP2MMP9HSD11B1RARBRARA
SCHEMBL9493241 0.99 MMP2 (0.40) MMP2MMP9HSD11B1RARBRARA
SCHEMBL9494297 0.99 MMP2 (0.40) MMP2MMP9HSD11B1RARBRARA
SCHEMBL9492654 0.99 MMP2 (0.40) MMP2MMP9HSD11B1RARBRARA
SCHEMBL9494280 0.99 MMP2 (0.40) MMP2MMP9HSD11B1RARBRARA
SCHEMBL9496424 0.97 MMP2 (0.36) MMP2MMP9HSD11B1
SCHEMBL9496683 0.96 MMP2 (0.38) MMP2MMP9HSD11B1RARBRARA
SCHEMBL9493575 0.96 MMP2 (0.38) MMP2MMP9HSD11B1RARBRARA
SCHEMBL9493303 0.95 MMP2 (0.36) MMP2MMP9HSD11B1
SCHEMBL9493751 0.94 MMP2 (0.38) MMP2MMP9HSD11B1RARBRARA

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-0329752-B1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1993-03-17 EP disclosed
EP-0329752-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1989-08-30 EP disclosed