SCHEMBL599447

SCHEMBL599447

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.33
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PAX8 Q06710 2/20 0.32
GPX4 P36969 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
JAK2 O60674 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HSD17B10 Q99714 1/20 0.30
BDKRB2 P30411 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
SCHEMBL599113 0.97 S1PR1 (0.35) S1PR1ALDH1A1HSD17B10BDKRB2
SCHEMBL482967 0.93 S1PR1 (0.40) S1PR1ALDH1A1TP53NPC1RAB9A
SCHEMBL482952 0.91 NPC1 (0.35) S1PR1ALDH1A1TP53NPC1RAB9A
SCHEMBL482957 0.90 S1PR1 (0.39) S1PR1ALDH1A1BDKRB2
SCHEMBL28600368 0.89 S1PR1 (0.39) S1PR1ALDH1A1BDKRB2
SCHEMBL482918 0.89 MLYCD (0.37) S1PR1ALDH1A1NPC1RAB9APAX8
SCHEMBL599368 0.85 CYP1A2 (0.32) ALDH1A1HSD17B10
SCHEMBL597724 0.85 BCHE (0.32) ALDH1A1HSD17B10
SCHEMBL6662428 0.83 PDK1 (0.33) S1PR1TP53
SCHEMBL482515 0.83 PPARG (0.31)

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