SCHEMBL13994426

SCHEMBL13994426

Cc1ccc(CBc2cc(F)ccc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.40
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NFE2L2 Q16236 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ IDO1 P14902 1/20 0.32

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
SCHEMBL13994405 0.86 ALDH1A1 (0.40) LMNAKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL13994421 0.84 MAPT (0.41) LMNAKMT2ASMN1; SMN2EGFRERBB2
SCHEMBL13994420 0.81 TAAR1 (0.41) ACHESMN1; SMN2ALDH1A1IDO1NPC1
SCHEMBL13994409 0.80 CYP2A6 (0.46) —
SCHEMBL13994400 0.76 PTGS1 (0.32) ACHEPTGS1PTGS2ALDH1A1
SCHEMBL14085645 0.74 ACHE (0.52) ACHELMNAKMT2AGAASMN1; SMN2
SCHEMBL13994399 0.72 ACHE (0.44) ACHELMNASMN1; SMN2BCHETP53
SCHEMBL13994428 0.71 PTGS1 (0.33) PTGS1PTGS2LMNAKMT2ASMN1; SMN2
SCHEMBL13994424 0.71 PTGS1 (0.33) PTGS1PTGS2ALDH1A1FFAR1FFAR4
SCHEMBL13994430 0.70 PYCR1 (0.32) —

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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