SCHEMBL4637099

SCHEMBL4637099

C=CCC(C)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.35
NR3C2 P08235 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ACP3 P15309 1/20 0.33
CYP2D6 P10635 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRB2 P07550 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CHRM2 P08172 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
SCHEMBL5035245 0.81 ESR1 (0.39) ESR1TSHRCYP2C19ACHENR3C2
SCHEMBL12290677 0.80 ESR1 (0.42) ESR1TSHRCYP2C19ACHENR3C2
SCHEMBL11437594 0.78 TSHR (0.62) TSHRCYP2C19ACHEALDH1A1SMN1; SMN2
SCHEMBL3246301 0.78 GAA (0.41) ESR1TSHRCYP2C19GAAACHE
SCHEMBL29295702 0.78 ADRB2 (0.42) TSHRCYP2C19ALDH1A1CYP2D6ADRB2
SCHEMBL15184714 0.78 GAA (0.41) ESR1TSHRCYP2C19GAAACHE
SCHEMBL28555034 0.78 TSHR (0.34) TSHRCYP2C19ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL8995483 0.78 ESR1 (0.41) ESR1TSHRCYP2C19GAAACHE
SCHEMBL3766879 0.78 ALDH1A1 (0.34) TSHRCYP2C19ALDH1A1SMN1; SMN2MEN1
SCHEMBL11561287 0.78 CA1 (0.36) TSHRCYP2C19ACHEALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934418-A1 UTILITY POLE OF THERMOPLASTIC COMPOSITE MATERIAL Pirelli & C. S.p.A. (IT) 2008-06-25 EP disclosed
WO-2007042058-A1 UTILITY POLE OF THERMOPLASTIC COMPOSITE MATERIAL PIRELLI & C. S.P.A. (IT) 2007-04-19 WO disclosed
US-6218469-B1 Unsaturated elastomer compositions and their vulcanized rubbers MITSUI CHEMICALS INC (JP) 2001-04-17 US disclosed
US-6143827-A CONJUGATED DIENE COPOLYMER; MOLDABILITY, TENSILE STRENGTH MITSUI CHEMICALS INC (JP) 2000-11-07 US disclosed
EP-0893245-A1 VULCANIZED MOLDING HAVING SURFACE DECORATIVE LAYER, PAINTED THERMOPLASTIC RESIN COMPOSITION, AND PAINTED ELASTOMER COMPOSITION Mitsui Chemicals, Inc. (JP) 1999-01-27 EP disclosed
EP-0892014-A1 Olefin thermoplastic elastomer composition Mitsui Chemicals, Inc. (JP) 1999-01-20 EP disclosed
EP-0892013-A1 Unsaturated elastomer compositions and their vulcanized rubbers Mitsui Chemicals, Inc. (JP) 1999-01-20 EP disclosed
EP-0634427-B1 Higher alpha-olefin copolymer, process for the preparation of the same, rubber composition comprising the same, and rubber molded product comprising the same MITSUI CHEMICALS INC (JP) 1998-05-20 EP disclosed
US-5430117-A Nonconjugated diene-vinyl aromatic-α-olefin interpolymers MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-07-04 US disclosed
EP-0634427-A1 Higher alpha-olefin copolymer, process for the preparation of the same, rubber composition comprising the same, and rubber molded product comprising the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-01-18 EP disclosed