SCHEMBL599113

SCHEMBL599113

CCCCN(C(=O)c1ccc(C)cc1)c1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(N(CCCC)C(=O)c3ccc(C)cc3)c2F)c1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.35
ALDH1A1 P00352 3/20 0.31
ADRB2 P07550 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BDKRB2 P30411 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL599447 0.97 S1PR1 (0.33) S1PR1ALDH1A1HSD17B10BDKRB2
SCHEMBL482957 0.92 S1PR1 (0.39) S1PR1ALDH1A1ADRB2MAPTBDKRB2
SCHEMBL28600368 0.91 S1PR1 (0.39) S1PR1ALDH1A1ADRB2MAPTBDKRB2
SCHEMBL482918 0.91 MLYCD (0.37) S1PR1ALDH1A1ADRB2MAPTBDKRB2
SCHEMBL482967 0.90 S1PR1 (0.40) S1PR1ALDH1A1BDKRB2
SCHEMBL482952 0.89 NPC1 (0.35) S1PR1ALDH1A1ADRB2MAPT
SCHEMBL599368 0.86 CYP1A2 (0.32) ALDH1A1HSD17B10NPSR1
SCHEMBL6662428 0.86 PDK1 (0.33) S1PR1MAPT
SCHEMBL597724 0.85 BCHE (0.32) ALDH1A1HSD17B10
SCHEMBL599290 0.84 RAB9A (0.36) ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114402256-A Organic film, method for producing same, composition, laminate, and semiconductor device 富士胶片株式会社 2022-04-26 CN disclosed
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