SCHEMBL13994411

SCHEMBL13994411

CCOc1cc(C(F)(F)F)ccc1BCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTR2C P28335 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL13994414 0.76 PPARG (0.39) CYP11B1CYP11B2CYP19A1CYP1A2CYP2C19
SCHEMBL13994416 0.73 CYP1A2 (0.44) L3MBTL1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL13994390 0.70 TACR1 (0.42) CYP19A1MAPTNPSR1PPARGPPARA
SCHEMBL13696455 0.70 CYP2C19 (0.51) L3MBTL1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL12126027 0.70 CYP1A2 (0.51) L3MBTL1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL12675244 0.68 CYP1A2 (0.57) L3MBTL1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL4524912 0.68 CYP2C19 (0.50) L3MBTL1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL28458165 0.68 CYP2C19 (0.50) L3MBTL1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL957465 0.68 CYP2C19 (0.50) L3MBTL1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL12674477 0.68 CYP1A2 (0.56) L3MBTL1HPGDCYP1A2CYP2C9CYP2C19

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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