SCHEMBL7192304

SCHEMBL7192304

CC1CCC(OC(=O)c2ccccc2O)(C(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 2/20 0.44
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL31291485 0.82 ACHE (0.42) LMNACYP2C9CYP2C19CYP1A2TSHR
SCHEMBL22283456 0.75 LMNA (0.41) ALDH1A1LMNACYP2C9CYP2C19CYP3A4
SCHEMBL6400043 0.75 TSHR (0.42) ALDH1A1TSHRTDP1KDM4E
SCHEMBL18813005 0.73 LMNA (0.44) ALDH1A1LMNACYP2C9CYP2C19CYP3A4
SCHEMBL22471699 0.72 SCN1A (0.49) ALDH1A1LMNACYP2C9CYP2C19CYP3A4
SCHEMBL6400041 0.70 ALDH1A1 (0.41) ALDH1A1LMNACYP2C9CYP2C19CYP3A4
SCHEMBL28944642 0.70 ALDH1A1 (0.46) ALDH1A1LMNACYP2C9CYP2C19CYP3A4
SCHEMBL578103 0.69 LMNA (0.49) ALDH1A1LMNACYP2C9CYP2C19CYP3A4
SCHEMBL27781086 0.68 LMNA (0.51) ALDH1A1LMNACYP2C9CYP2C19CYP3A4
SCHEMBL18813004 0.67 LMNA (0.54) ALDH1A1LMNACYP2C9CYP2C19CYP3A4

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-6534099-B1 Mixture also containing phenethyl proprionate and eugenol ECOSMART TECHNOLOGIES, INC. 2003-03-18 US disclosed
WO-2001091556-A2 PESTICIDAL COMPOSITIONS CONTAINING MENTHYL SALICYLATE ECOSMART TECHNOLOGIES, INC. (US) 2001-12-06 WO disclosed