SCHEMBL7765635

SCHEMBL7765635

CC(C)(Cl)CC(C)(C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.41
SHBG P04278 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CYP3A4 P08684 1/20 0.37
KCNN4 O15554 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL10541114 0.87 SHBG (0.50) TAAR1TSHRMAPK1SHBGHIF1A
SCHEMBL9250206 0.86 TAAR1 (0.54) TAAR1TSHRMAPK1SHBGCYP2C19
SCHEMBL42933 0.80 SHBG (0.60) TAAR1TSHRMAPK1SHBGCYP2C19
SCHEMBL19872296 0.79 TSHR (0.48) TAAR1TSHRSHBGESR1ESR2
SCHEMBL2270630 0.78 TAAR1 (0.56) TAAR1TSHRMAPK1SHBGCYP2C19
Tert-Amylbenzene SCHEMBL28391499 0.77 TAAR1 (0.50) TAAR1TSHRMAPK1CYP2C19HIF1A
SCHEMBL8614273 0.77 TAAR1 (0.61) TAAR1TSHRMAPK1CYP2C19HIF1A
SCHEMBL42357 0.76 TSHR (0.58) TAAR1TSHRMAPK1CYP2C19HIF1A
SCHEMBL8529366 0.76 TAAR1 (0.54) TAAR1TSHRMAPK1SHBGCYP2C19
SCHEMBL19981048 0.76 TAAR1 (0.54) TAAR1TSHRMAPK1SHBGCYP2C19

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
CN-1150233-C Star-shaped polymers ���ʿ����о����޹�˾ 2004-05-19 CN disclosed
EP-0675153-B1 Process for the preparation of star-shaped polymers SHELL INT RESEARCH (NL) 2001-06-13 EP disclosed
EP-1099717-A2 Star-shaped polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2001-05-16 EP disclosed
CN-1115321-A Star-shaped polymers SHELL INT RESEARCH (NL) 1996-01-24 CN disclosed
US-5458796-A Synthesis of polyisobutylene star-branched polymers via living carbocationic polymerization SHELL OIL COMPANY (US) 1995-10-17 US disclosed
EP-0675153-A1 Star-shaped polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-10-04 EP disclosed