SCHEMBL29326324

SCHEMBL29326324

CCOc1ccc(-c2ccc(C3CCC(C4CC=CC4)CC3)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
FPR2 P25090 6/20 0.34
FGFR2 P21802 2/20 0.32
FGFR1 P11362 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
PTPRC P08575 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
APP P05067 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
SCHEMBL17827784 0.94 KDM1A (0.39) KDM1AFPR2FGFR2FGFR1FFAR4
SCHEMBL26209577 0.94 KDM1A (0.39) KDM1AFPR2FGFR2FGFR1FFAR4
SCHEMBL26209581 0.90 KDM1A (0.36) KDM1AFPR2FGFR2FGFR1FFAR4
SCHEMBL21609914 0.90 KDM1A (0.36) KDM1AFPR2FGFR2FGFR1FFAR4
SCHEMBL28559153 0.85 ESR2 (0.41) KDM1AFPR2FGFR2FGFR1FFAR4
SCHEMBL10052063 0.85 ESR2 (0.41) KDM1AFPR2FGFR2FGFR1FFAR4
SCHEMBL16769036 0.84 KDM1A (0.40) KDM1AFPR2FGFR2FGFR1FFAR4
SCHEMBL16769035 0.84 CYP3A4 (0.41) KDM1AFPR2FGFR2FGFR1FFAR4
SCHEMBL17827782 0.84 KDM1A (0.37) KDM1AFPR2FGFR2FGFR1FFAR4
SCHEMBL17016743 0.84 FPR2 (0.38) KDM1AFPR2FGFR2FGFR1FFAR4

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-4400561-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-07-17 EP disclosed