SCHEMBL3697608

SCHEMBL3697608

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4ccc(-c5ccc6c(c5)-c5c(c7c(c8cc(C(F)(F)F)ccc58)OC(c5ccc(F)cc5)(c5ccc(OCCCC)cc5)C=C7)C6(C)O)cc4)cc3)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
ALK Q9UM73 1/20 0.32
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
TP53 P04637 1/20 0.31
P2RY14 Q15391 1/20 0.31
MGAT2 Q10469 1/20 0.31
MCHR1 Q99705 1/20 0.30
CTNNB1 P35222 1/20 0.30
TCF7L2 Q9NQB0 1/20 0.30
PLG P00747 1/20 0.30
PLAU P00749 1/20 0.30
PLAT P00750 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL12573772 0.96 ALK (0.33) TRPA1ALKCXCR1CXCR2TP53
SCHEMBL12573736 0.96 ALK (0.33) TRPA1ALKCXCR1CXCR2TP53
SCHEMBL1333834 0.96 ALK (0.33) TRPA1ALKCXCR1CXCR2TP53
SCHEMBL1334089 0.92 TRPA1 (0.34) TRPA1P2RY14MCHR1CTNNB1TCF7L2
SCHEMBL12573753 0.92 MCHR1 (0.35) ALKTP53P2RY14MGAT2MCHR1
SCHEMBL2016514 0.92 MCHR1 (0.35) ALKTP53P2RY14MGAT2MCHR1
SCHEMBL1334077 0.92 MCHR1 (0.35) ALKTP53P2RY14MGAT2MCHR1
SCHEMBL17059995 0.92 MGAT2 (0.34) ALKTP53P2RY14MGAT2MCHR1
SCHEMBL29910185 0.92 MCHR1 (0.35) ALKTP53P2RY14MGAT2MCHR1
SCHEMBL12573766 0.91 CXCR1 (0.33) TRPA1ALKCXCR1CXCR2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718754-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-01-24 EP disclosed
EP-2969499-B1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION TRANSITIONS OPTICAL INC (US) 2021-12-08 EP disclosed
EP-2969468-B1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION TRANSITIONS OPTICAL INC (US) 2020-12-23 EP disclosed
EP-2895897-B1 A PHOTOCHROMIC ARTICLE HAVING TWO AT LEAST PARTIALLY CROSSED PHOTOCHROMIC-DICHROIC LAYERS TRANSITIONS OPTICAL INC (US) 2020-03-25 EP disclosed
US-8649081-B1 Photochromic article having two at least partially crossed photochromic-dichroic layers TRANSITIONS OPTICAL, INC. (US) 2014-02-11 US disclosed
US-8545015-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-20120120473-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2012-05-17 US disclosed