SCHEMBL8045220

SCHEMBL8045220

CC1CCC(C(C)C)C(OC(=O)CCC(=O)O)C1.[LiH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.55
EPHX1 P07099 3/20 0.51
ALDH1A1 P00352 8/20 0.49
NPSR1 Q6W5P4 3/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL25559590 0.99 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL25560369 0.99 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL4753036 0.99 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL79842 0.99 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL14565716 0.99 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL29018706 0.99 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL14580755 0.99 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL12449331 0.99 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL3397280 0.99 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1NPSR1TSHR
SCHEMBL29748715 0.93 CYP19A1 (0.52) CYP19A1EPHX1ALDH1A1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121315-A MIXTURE CONTAINING MENTHYL SUCCINATE COOLANT WARNER-LAMBERT COMPANY (US) 2000-09-19 US disclosed
WO-1998011867-A1 ORAL COMPOSITIONS CONTAINING A ZINC COMPOUND WARNER-LAMBERT COMPANY (US) 1998-03-26 WO disclosed