SCHEMBL9348164

SCHEMBL9348164

CCc1ccc(C(C)CC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSP90AA1 P07900 1/20 0.43
TP53 P04637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL18295687 1.00 TSHR (0.52) TSHRL3MBTL1MAPK1ATMTDP1
SCHEMBL19027079 0.93 TSHR (0.47) TSHRL3MBTL1MAPK1ATMTDP1
SCHEMBL598140 0.87 ALDH1A1 (0.52) TSHRESR1ESR2ALDH1A1CYP2C9
SCHEMBL9838746 0.85 ESR1 (0.45) TSHRL3MBTL1ESR1ESR2ALDH1A1
SCHEMBL12193645 0.84 CHKA (0.42) TSHRL3MBTL1MAPK1ATMTDP1
SCHEMBL10057529 0.83 TP53 (0.43) TSHRL3MBTL1MAPK1ATMTDP1
SCHEMBL19417423 0.83 L3MBTL1 (0.43) TSHRL3MBTL1MAPK1ATMTDP1
Hydrogen Peroxide SCHEMBL11434421 0.81 ALDH1A1 (0.59) TSHRESR1ESR2ALDH1A1CYP2C9
SCHEMBL24246248 0.81 ALDH1A1 (0.46) TSHRESR1ESR2ALDH1A1CYP2C9
SCHEMBL18685712 0.81 TSHR (0.48) TSHRL3MBTL1MAPK1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605101-B2 Pigment multimer, coloring composition, cured film, color filter, method for manufacturing color filter, solid-state imaging element, and image display device FUJIFILM CORPORATION (JP) 2017-03-28 US disclosed
EP-0414207-B1 Method for preparing alpha-(-4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO LTD (JP) 1994-08-03 EP disclosed
EP-0374850-B1 Method for preparing alpha-(4-isobutylphenyl)propionic acid or its precursor NIPPON PETROCHEMICALS CO LTD (JP) 1994-03-09 EP disclosed
US-5260477-A Multistage process of catalytic dehydrogenation and reaction with carbon monoxide then hydrogenation NIPPON PETROCHEMICALS CO., LTD. (JP) 1993-11-09 US disclosed
EP-0347939-B1 METHOD FOR PREPARING ALPHA-(4-ISOBUTYLPHENYL) PROPIONIC ACID OR ITS PRECURSOR NIPPON PETROCHEMICALS CO., LTD. (JP) 1993-08-25 EP disclosed
US-5166419-A Multistage reaction by catalytic dehydrogenation and reaction with carbon monoxide NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-11-24 US disclosed
US-5097061-A From isobutylbenzene and ethylene, dehydrogenation, carboxylation of the p-isobutylstyrene product, catalytic NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-03-17 US disclosed
US-5043372-A Light stabilizers for polyolefins; reacting hydrazine with bis(half ester-half amide) ATOCHEM NORTH AMERICA, INC. (US) 1991-08-27 US disclosed
EP-0434079-A1 N,N'-hydrocarbylenebis(N-hals-substituted amic acid hydrazides) and their derivatives ELF ATOCHEM NORTH AMERICA, INC. (US) 1991-06-26 EP disclosed
EP-0414207-A2 Method for preparing alpha-(-4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1991-02-27 EP disclosed
EP-0374850-A1 Method for preparing alpha-(4-isobutylphenyl)propionic acid or its precursor NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-06-27 EP disclosed
EP-0347939-A1 Method for preparing alpha-(4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1989-12-27 EP disclosed