SCHEMBL4842955

SCHEMBL4842955

CC(C)(c1ccccc1)c1ccc2c(c1)-c1cc(C(C)(C)c3ccccc3)ccc1C2[Zr]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.47
ESR2 Q92731 5/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
CNR1 P21554 4/20 0.45
CNR2 P34972 4/20 0.45
NR3C2 P08235 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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 SCHEMBL9943612 0.98 ESR1 (0.46) ESR1ESR2ALDH1A1CYP3A4CNR1
Hydrochloric Acid SCHEMBL4833319 0.81 ESR1 (0.46) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL6471561 0.79 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ANPC1PLA2G1B
Hydrochloric Acid SCHEMBL14973884 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANPC1PLA2G1B
SCHEMBL3684822 0.76 ESR1 (0.67) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL12505878 0.74 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ANPC1PLA2G1B
Water SCHEMBL28155993 0.74 ESR1 (0.64) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL7535051 0.73 ESR1 (0.75) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL716123 0.72 ESR1 (0.50) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL35881 0.71 ESR1 (0.70) ESR1ESR2ALDH1A1CYP3A4CNR1

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