SCHEMBL8766798

SCHEMBL8766798

C=CCCC(C)c1cc(C)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.45
PTPN1 P18031 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 3/20 0.32
CHRM1 P11229 2/20 0.32
ADRA1A P35348 2/20 0.32
TRPA1 O75762 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2B P41595 1/20 0.32
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HPGD P15428 1/20 0.31
PDE5A O76074 1/20 0.30
ESR1 P03372 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30

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 0.79 ESR1 (0.39) SRCPTPN1CHRM1ADRA1ASLC6A2
SCHEMBL8985501 0.75 PDE5A (0.40) SRCKMT2APOLBLMNACHRM1
SCHEMBL27391010 0.74 TSHR (0.42) SRCKMT2APOLBLMNACHRM1
SCHEMBL14908003 0.72 CHRM1 (0.51) SRCKMT2APOLBLMNACHRM1
SCHEMBL8750430 0.72 SRC (0.36) SRCKMT2APOLBLMNACHRM1
SCHEMBL4957548 0.72 SRC (0.33) SRCKMT2APOLBLMNACHRM1
SCHEMBL11281355 0.71 KMT2A (0.40) SRCKMT2APOLBLMNACHRM1
SCHEMBL7813526 0.71 KMT2A (0.50) KMT2APOLBLMNAALDH1A1MEN1
Hydrogen Peroxide SCHEMBL11334308 0.71 TSHR (0.44) SRCKMT2APOLBLMNACHRM1
SCHEMBL22425523 0.69 SRC (0.33) SRCKMT2APOLBLMNACHRM1

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
EP-0575081-B1 Side-chain alkylation method SUMIKIN CHEMICAL (JP) 1997-08-20 EP claimed
EP-0578369-B1 Production process of 1,4,5,8-naphthalene tetracarboxylic acid SUMIKIN CHEMICAL (JP) 1996-05-22 EP claimed
US-5414174-A Reacting unsaturated hydrocarbon with alkyl aromatic compound SUMIKIN CHEMICAL CO., LTD. (JP) 1995-05-09 US claimed
US-5354899-A Production process of 1,4,5,8-naphthalene tetracarboxylic acid SUMIKIN CHEMICAL CO. (JP) 1994-10-11 US claimed
EP-0578369-A2 Production process of 1,4,5,8-naphthalene tetracarboxylic acid SUMIKIN CHEMICAL CO., LTD. (JP) 1994-01-12 EP claimed
EP-0575081-A2 Side-chain alkylation method SUMIKIN CHEMICAL CO., LTD. (JP) 1993-12-22 EP claimed
EP-0575081-B1 Side-chain alkylation method SUMIKIN CHEMICAL (JP) 1997-08-20 EP disclosed
EP-0578369-B1 Production process of 1,4,5,8-naphthalene tetracarboxylic acid SUMIKIN CHEMICAL (JP) 1996-05-22 EP disclosed
US-5414174-A Reacting unsaturated hydrocarbon with alkyl aromatic compound SUMIKIN CHEMICAL CO., LTD. (JP) 1995-05-09 US disclosed
US-5354899-A Production process of 1,4,5,8-naphthalene tetracarboxylic acid SUMIKIN CHEMICAL CO. (JP) 1994-10-11 US disclosed
EP-0578369-A2 Production process of 1,4,5,8-naphthalene tetracarboxylic acid SUMIKIN CHEMICAL CO., LTD. (JP) 1994-01-12 EP disclosed
EP-0575081-A2 Side-chain alkylation method SUMIKIN CHEMICAL CO., LTD. (JP) 1993-12-22 EP disclosed