SCHEMBL5035245

SCHEMBL5035245

C=CCCC(C)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
PTPN1 P18031 1/20 0.35
SRC P12931 1/20 0.34
ADRA2A P08913 3/20 0.33
ADRA2B P18089 3/20 0.33
TSHR P16473 2/20 0.33
ADRA2C P18825 2/20 0.33
CYP19A1 P11511 1/20 0.33
NR3C2 P08235 1/20 0.33
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACP3 P15309 1/20 0.32
ADRB2 P07550 1/20 0.31
CYP2D6 P10635 2/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL7176631 0.82 ESR1 (0.50) ESR1ADRA2AADRA2BTSHRADRA2C
SCHEMBL10490952 0.81 ESR1 (0.39) ESR1PTPN1SRCADRA2AADRA2B
SCHEMBL4637099 0.81 ESR1 (0.42) ESR1ADRA2AADRA2BTSHRADRA2C
SCHEMBL10490931 0.81 ESR1 (0.36) ESR1PTPN1SRCADRA2AADRA2B
SCHEMBL8766798 0.79 SRC (0.45) ESR1PTPN1SRCALDH1A1CHRM2
SCHEMBL10643787 0.79 ADRA2A (0.35) PTPN1ADRA2AADRA2BTSHRADRA2C
SCHEMBL6448785 0.77 ADRA2A (0.35) PTPN1ADRA2AADRA2BTSHRADRA2C
SCHEMBL11800593 0.76 ESR1 (0.45) ESR1ADRA2AADRA2BTSHRADRA2C
SCHEMBL8167927 0.76 AOC3 (0.33) PTPN1TSHR
SCHEMBL19985073 0.75 ESR1 (0.43) ESR1ADRA2AADRA2BTSHRADRA2C

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-1919972-A1 PROCESS FOR MANUFACTURING A THERMOPLASTIC ELASTOMERIC MATERIAL Pirelli & C. S.p.A. (IT) 2008-05-14 EP claimed
WO-2007025556-A1 PROCESS FOR MANUFACTURING A THERMOPLASTIC ELASTOMERIC MATERIAL PIRELLI & C. S.P.A. (IT) 2007-03-08 WO claimed
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