SCHEMBL13994414

SCHEMBL13994414

Cc1ccc(C(F)(F)F)cc1BCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35

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 0.79 ALDH1A1 (0.40) PPARGPPARACYP11B1CYP11B2P2RX7
SCHEMBL13994411 0.76 L3MBTL1 (0.45) PPARGPPARAHTR2CHTR2BCYP19A1
SCHEMBL13994390 0.75 TACR1 (0.42) PPARGPPARACYP19A1TSHRALDH1A1
SCHEMBL12167392 0.69 HTR2C (0.56) HTR2CHTR2BMAPT
SCHEMBL30573038 0.69 HTR2C (0.56) HTR2CHTR2BMAPT
SCHEMBL14014974 0.67 MEN1 (0.55) CYP3A4CYP2D6MEN1KMT2AALDH1A1
SCHEMBL18703359 0.67 MRGPRX4 (0.61) HTR2CHTR2BMAPT
SCHEMBL1755260 0.67 PDE2A (0.46) TAS2R14TSHRALDH1A1KIF11MAPT
SCHEMBL18025753 0.66 KIF11 (0.52) TAS2R14TSHRALDH1A1KIF11MAPT
SCHEMBL13994426 0.66 ACHE (0.40) CYP3A4CYP2D6KMT2AALDH1A1IDO1

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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