SCHEMBL7909025

SCHEMBL7909025

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
SHBG P04278 1/20 0.42
CYP3A4 P08684 4/20 0.41
HIF1A Q16665 2/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
DRD1 P21728 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
Octrizole SCHEMBL28983126 0.89 NPC1 (0.56) NPC1RAB9ALMNASHBGCYP3A4
Octrizole SCHEMBL15508 0.89 NPC1 (0.56) NPC1RAB9ALMNASHBGCYP3A4
Octrizole SCHEMBL29349945 0.89 NPC1 (0.56) NPC1RAB9ALMNASHBGCYP3A4
Octrizole SCHEMBL30315837 0.88 NPC1 (0.55) NPC1RAB9ALMNASHBGCYP3A4
Octrizole SCHEMBL5547097 0.85 NPC1 (0.52) NPC1RAB9ALMNASHBGCYP3A4
SCHEMBL18375140 0.85 NPC1 (0.45) NPC1RAB9ALMNASHBGCYP3A4
Octrizole SCHEMBL8614902 0.84 NPC1 (0.51) NPC1RAB9ALMNASHBGCYP3A4
SCHEMBL11306262 0.84 NPC1 (0.51) NPC1RAB9ALMNACYP2D6SMN1; SMN2
Octrizole SCHEMBL29414361 0.84 NPC1 (0.47) NPC1RAB9ALMNASHBGCYP3A4
Octrizole SCHEMBL12076352 0.83 NPC1 (0.68) NPC1RAB9ALMNASHBGCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6201061-B1 CURING A RESIN FOR OPTICAL USE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2001-03-13 US claimed
CN-108368461-A CLEANING AGENT COMPOSITION, RINSING AGENT COMPOSITION AND CLEANING METHOD 株式会社德山METEL 2018-08-03 CN disclosed
US-6201061-B1 CURING A RESIN FOR OPTICAL USE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2001-03-13 US disclosed
EP-0950905-A2 Process for producing a novel resin for optical materials having excellent color tone and transparency MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-10-20 EP disclosed
EP-0931805-A1 TRIBLOCK OLIGOMERS, THERMOPLASTIC RESIN COMPOSITIONS, AND ANTIFOG MOLDINGS Mitsui Chemicals, Inc. (JP) 1999-07-28 EP disclosed
EP-0879855-A1 THERMOPLASTIC RESIN COMPOSITION AND FILM MADE FROM THE COMPOSITION Mitsui Chemicals, Inc. (JP) 1998-11-25 EP disclosed