SCHEMBL8630877

SCHEMBL8630877

CCCCC1(C(F)F)C=CC(c2ccccc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 11/20 0.34
KDM1A O60341 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
OPRM1 P35372 3/20 0.31
OPRL1 P41146 3/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ELANE P08246 1/20 0.31
CSNK1E P49674 1/20 0.31

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
SCHEMBL8634659 0.95 MMP2 (0.33) SLC10A2KDM1AMAOAMAOBOPRM1
SCHEMBL8631964 0.94 MMP2 (0.35) KDM1AMAOAMAOBOPRM1OPRL1
SCHEMBL8632114 0.91 KDM1A (0.38) SLC10A2KDM1AMAOAMAOB
SCHEMBL8634390 0.84 KDM1A (0.35) KDM1AMAOAMAOB
SCHEMBL9262727 0.78 SLC10A2 (0.32) SLC10A2KDM1AMAOAMAOB
SCHEMBL8630991 0.75 LTA4H (0.34)
SCHEMBL10337714 0.73 SLC10A2 (0.32) SLC10A2KDM1AMAOAMAOB
SCHEMBL10604204 0.73 SLC10A2 (0.34) SLC10A2KDM1AMAOAMAOBOPRM1
SCHEMBL10527595 0.72 MMP2 (0.38) SLC10A2KDM1AMAOAMAOBOPRM1
SCHEMBL9313274 0.72 KDM1A (0.35) SLC10A2KDM1AMAOAMAOBOPRM1

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-0449015-B1 Difluoromethyl compounds and liquid criystal medium MERCK PATENT GMBH (DE) 1998-07-01 EP disclosed
EP-0449015-A2 Difluoromethyl compounds and liquid criystal medium MERCK PATENT GmbH (DE) 1991-10-02 EP disclosed