SCHEMBL29910249

SCHEMBL29910249

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4ccc(-c5ccc6c(c5)-c5c(c7c(c8ccccc58)OC(c5ccc(OC)cc5)(c5ccc(OC)cc5)C=C7)C6(C)C)c(C(F)(F)F)c4)cc3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MCHR1 Q99705 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
DGAT1 O75907 2/20 0.31
S1PR1 P21453 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
CTSS P25774 2/20 0.31
MGAT2 Q10469 1/20 0.31
SMO Q99835 1/20 0.31
RAF1 P04049 1/20 0.30
EPHX2 P34913 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
MTTP P55157 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
SCHEMBL1333856 1.00 MAPT (0.33) MAPTKDM4EALDH1A1HPGDMCHR1
SCHEMBL1331933 0.95 NPC1 (0.34) MAPTKDM4EALDH1A1HPGDMCHR1
SCHEMBL29910319 0.95 NPC1 (0.34) MAPTKDM4EALDH1A1HPGDMCHR1
SCHEMBL1332433 0.93 MCHR1 (0.33) MAPTKDM4EALDH1A1HPGDMCHR1
SCHEMBL1332874 0.90 PLG (0.36) MCHR1ADORA3DGAT1PLGPLAU
SCHEMBL30914182 0.90 PLG (0.36) MCHR1ADORA3DGAT1PLGPLAU
SCHEMBL29910266 0.90 PLG (0.36) MCHR1DGAT1KMT2APLGPLAU
SCHEMBL1334027 0.90 PLG (0.36) MCHR1DGAT1KMT2APLGPLAU
SCHEMBL1334046 0.89 ADORA3 (0.35) MCHR1ADORA3DGAT1KMT2APLG
SCHEMBL12573753 0.88 MCHR1 (0.35) MAPTKDM4EMCHR1DGAT1KMT2A

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
EP-2718755-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-05-29 EP disclosed
EP-2718754-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-01-24 EP disclosed
EP-2895896-B1 A PHOTOCHROMIC ARTICLE HAVING AT LEAST PARTIALLY CROSSED POLARIZED PHOTOCHROMIC-DICHROIC AND FIXED-POLARIZED LAYERS TRANSITIONS OPTICAL INC (US) 2022-11-02 EP disclosed