SCHEMBL13994407

SCHEMBL13994407

Cc1ccc(F)cc1BCCOc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ DRD2 P14416 3/20 0.40
▸ DRD4 P21917 3/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ KCNA3 P22001 1/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTR1B P28222 2/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ LTA4H P09960 1/20 0.36

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
SCHEMBL13994408 0.77 RAB9A (0.32) ALDH1A1
SCHEMBL13994405 0.73 ALDH1A1 (0.40) LMNAALDH1A1
SCHEMBL13994428 0.73 PTGS1 (0.33) LMNATDP1L3MBTL1NPC1ALDH1A1
SCHEMBL13994491 0.71 PTGS1 (0.33) —
SCHEMBL13994400 0.70 PTGS1 (0.32) ALDH1A1
SCHEMBL13994410 0.69 GHSR (0.35) CYP2C19CYP1A2CYP2D6
SCHEMBL13994470 0.69 GHSR (0.35) CYP2C19CYP1A2CYP2D6
SCHEMBL13994409 0.68 CYP2A6 (0.46) CYP1A2TDP1
SCHEMBL8671057 0.67 CYP1A2 (0.66) DRD2DRD3KCNA3CYP2C19CYP1A2
SCHEMBL13994424 0.66 PTGS1 (0.33) ALDH1A1

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
US-7470015-B2 Inkjet-recording ink composition and image-forming process FUJIFILM CORPORATION (JP) 2008-12-30 — — US disclosed
US-7229737-B2 Photopolymerizable composition and recording material and recording process using the same FUJIFILM CORPORATION (JP) 2007-06-12 — — US disclosed
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