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SCHEMBL599368

SCHEMBL599368

Cc1ccc(C(=O)CN(C(=O)c2ccc(C)cc2)c2ccc(F)c([Ti](C3=CC=CC3)(C3=CC=CC3)c3c(F)ccc(N(CC(=O)c4ccc(C)cc4)C(=O)c4ccc(C)cc4)c3F)c2F)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PKM P14618 1/20 0.31

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
SCHEMBL599929 0.96 NPC1 (0.35) CYP1A2POLBCYP3A4CYP2C9CYP2C19
SCHEMBL597724 0.87 BCHE (0.32) ALDH1A1HSD17B10
SCHEMBL599113 0.86 S1PR1 (0.35) NPSR1ALDH1A1HSD17B10
SCHEMBL599447 0.85 S1PR1 (0.33) ALDH1A1HSD17B10
SCHEMBL599290 0.85 RAB9A (0.36) ALDH1A1PKM
SCHEMBL599345 0.85 CNR2 (0.37) POLB
SCHEMBL598466 0.84 PDK1 (0.33) CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL482723 0.83 KMT2A (0.34) ALDH1A1
SCHEMBL599437 0.81 SMN1; SMN2 (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1HSD17B10
SCHEMBL482957 0.78 S1PR1 (0.39) 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-8114569-B2 Maskless photopolymer exposure process and apparatus PHOTOCENTRIC LIMITED (GB) 2012-02-14 — — US disclosed
US-20090190107-A1 MASKLESS PHOTOPOLYMER EXPOSURE PROCESS AND APPARATUS PHOTOCENTRIC LIMITED (GB) 2009-07-30 — — US disclosed