SCHEMBL4556841

SCHEMBL4556841

C=CCc1ccc2cc(CC)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP2A6 P11509 1/20 0.57
ALDH1A1 P00352 5/20 0.48
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 1/20 0.48
CYP3A4 P08684 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
XDH P47989 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPT P10636 4/20 0.47
GABRA1 P14867 4/20 0.47
GABRB2 P47870 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CNR2 P34972 4/20 0.47
GAA P10253 3/20 0.47

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
SCHEMBL3259762 0.89 XDH (0.58) CYP1A2CYP2A6ALDH1A1PPARGPPARD
SCHEMBL198193 0.85 XDH (0.54) CYP1A2CYP2A6ALDH1A1PPARGPPARD
SCHEMBL7055734 0.85 XDH (0.54) CYP1A2CYP2A6ALDH1A1PPARGPPARD
SCHEMBL253471 0.85 XDH (0.54) CYP1A2CYP2A6ALDH1A1PPARGPPARD
SCHEMBL7043823 0.85 XDH (0.54) CYP1A2CYP2A6ALDH1A1PPARGPPARD
SCHEMBL11494827 0.85 XDH (0.54) CYP1A2CYP2A6ALDH1A1PPARGPPARD
SCHEMBL7555913 0.82 XDH (0.56) CYP1A2CYP2A6ALDH1A1PPARGPPARD
SCHEMBL347592 0.82 CYP2A6 (0.80) CYP1A2CYP2A6ALDH1A1SMN1; SMN2TP53
SCHEMBL29407167 0.82 CYP2A6 (0.80) CYP1A2CYP2A6ALDH1A1SMN1; SMN2TP53
SCHEMBL11787191 0.81 ALDH1A1 (0.46) CYP1A2CYP2A6ALDH1A1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494315-A1 PROCESS FOR PRODUCING 2-ALKYL-6-ETHYL-NAPHTHALENE NIPPON STEEL CHEMICAL CO., LTD. (JP) 1992-07-15 EP claimed
EP-1615983-B1 TRANSALKYLATION OF AROMATIC FLUIDS EXXONMOBIL CHEM PATENTS INC (US) 2009-01-14 EP disclosed
US-5321182-A From naphthalene and polyethylbenzenes in the presence of an acid catalyst NIPPON STEEL CHEMICAL CO., LTD. (JP) 1994-06-14 US disclosed
US-5321182-A From naphthalene and polyethylbenzenes in the presence of an acid catalyst NIPPON STEEL CHEMICAL CO., LTD. (JP) 1994-06-14 US disclosed
US-5321182-A From naphthalene and polyethylbenzenes in the presence of an acid catalyst NIPPON STEEL CHEMICAL CO., LTD. (JP) 1994-06-14 US disclosed
EP-0494315-A4 PROCESS FOR PRODUCING 2-ALKYL-6-ETHYL-NAPHTHALENE 1993-07-07 EP disclosed
EP-0494315-A1 PROCESS FOR PRODUCING 2-ALKYL-6-ETHYL-NAPHTHALENE NIPPON STEEL CHEMICAL CO., LTD. (JP) 1992-07-15 EP disclosed
EP-0494315-A1 PROCESS FOR PRODUCING 2-ALKYL-6-ETHYL-NAPHTHALENE NIPPON STEEL CHEMICAL CO., LTD. (JP) 1992-07-15 EP disclosed
WO-1992002473-A1 PROCESS FOR PRODUCING 2-ALKYL-6-ETHYL-NAPHTHALENE NIPPON STEEL CHEMICAL CO., LTD. (JP) 1992-02-20 WO disclosed