SCHEMBL4842961

SCHEMBL4842961

CC(C)(c1ccccc1)c1ccc2c(c1)-c1cc(C(C)(C)c3ccccc3)cc([Zr])c1C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
NR3C2 P08235 3/20 0.35
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 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
Hydrochloric Acid SCHEMBL4833338 0.82 ESR1 (0.37) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL29556735 0.80 CYP1A2 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL6471558 0.80 CYP1A2 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL4833326 0.80 CNR1 (0.37) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL6233607 0.74
SCHEMBL26981212 0.73 CNR1 (0.49) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL30739105 0.73 CNR1 (0.49) ESR1ESR2ALDH1A1CYP3A4CNR1
Hydrochloric Acid SCHEMBL5077743 0.72 CNR1 (0.31) CNR1CNR2
Hydrochloric Acid SCHEMBL714802 0.72 CNR1 (0.30) CNR1CNR2
Hydrochloric Acid SCHEMBL5077683 0.72 CNR1 (0.30) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452946-B2 copolymer with C3 to C10 alpha -olefin; provides a blow-molded product and an extrusion-molded product excellent in moldability, mechanical strength and outward appearance; produced in the presence of a solid catalyst MITSUI CHEMICALS, INC. (JP) 2008-11-18 US disclosed
US-20060199925-A1 Ethylene polymer MITSUI CHEMICALS, INC. (JP) 2006-09-07 US disclosed