SCHEMBL7198524

SCHEMBL7198524

CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 3/20 0.36
PTGS2 P35354 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
Drometrizole SCHEMBL1937812 0.94 NPC1 (0.64) NPC1RAB9ALMNATSHRCYP1A2
SCHEMBL29350736 0.92 NPC1 (0.49) NPC1RAB9ALMNATSHRCYP1A2
SCHEMBL29708 0.92 NPC1 (0.49) NPC1RAB9ALMNATSHRCYP1A2
SCHEMBL22372500 0.91 NPC1 (0.44) NPC1RAB9ALMNATSHRCYP1A2
SCHEMBL78159 0.89 NPC1 (0.64) NPC1RAB9ALMNATSHRPOLB
SCHEMBL29354646 0.89 NPC1 (0.64) NPC1RAB9ALMNATSHRPOLB
SCHEMBL712969 0.87 NPC1 (0.38) NPC1RAB9ALMNATSHRCYP1A2
SCHEMBL29706577 0.87 NPC1 (0.38) NPC1RAB9ALMNATSHRCYP1A2
Drometrizole SCHEMBL16212519 0.84 NPC1 (0.56) NPC1RAB9ALMNATSHRCYP1A2
Bumetrizole SCHEMBL3740116 0.84 NPC1 (0.50) NPC1RAB9ALMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313565-B Polymerizable composition for optical member 豪雅镜片泰国有限公司 2022-11-29 CN disclosed
CN-109843958-B Method for producing resin for optical member, spectacle lens, and spectacles 豪雅镜片泰国有限公司 2022-10-11 CN disclosed
CN-113165359-A Acrylic films with improved UV protection 罗姆化学有限责任公司 2021-07-23 CN disclosed
US-6593434-B1 Condensation polymerization, esterification, melt mixing or kneading; high molecular weight, low crystallinity DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed