SCHEMBL8677283

SCHEMBL8677283

C=C(C)c1ccc(C(C)(C)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HDAC1 Q13547 1/20 0.33
POLB P06746 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
SRD5A2 P31213 1/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TYR P14679 1/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL11405800 0.85 TSHR (0.39) TSHRMAPTKMT2ALMNACYP1A2
SCHEMBL7253138 0.82 PDE2A (0.43) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL11281234 0.81 ESR1 (0.43) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL465848 0.81 TSHR (0.52) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL6563424 0.79 TSHR (0.37) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL678316 0.77 KMT2A (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL11116753 0.77 TSHR (0.36) TSHRMAPTNPC1RAB9AHDAC1
SCHEMBL56361 0.77 MAPT (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL45199 0.77 MEN1 (0.41) TSHRMEN1KMT2ALMNAHPGD
SCHEMBL9471595 0.76 SLC2A1 (0.44) TSHRMAPTMEN1KMT2ANPC1

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-20240052109-A1 POLYSILOXANE VINYLIC MONOMERS AND USES THEREOF ALCON INC. (CH) 2024-02-15 US disclosed
US-5719096-A ISOMER BLEND; CROSSLINKING POLYMERS ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-02-17 US disclosed
US-5539061-A FOR CROSSLINKING THERMOPLASTIC RESINS, POLYETHYLENE, ETHYLENE-PROPYLENE COPOLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-07-23 US disclosed
EP-0088218-A1 Preparation of tertiary alkyl isocyanates AMERICAN CYANAMID COMPANY (US) 1983-09-14 EP disclosed
US-4399074-A FROM THE HALIDE, CATALYST COMPLEX OF ZINC SALT, PYRIDINE AND ALKALI METAL CYANATE AMERICAN CYANAMID COMPANY (US) 1983-08-16 US disclosed
US-4399073-A FROM THE HALIDE AND ALKALI METAL CYANATE, WATER AMERICAN CYANAMID COMPANY (US) 1983-08-16 US disclosed