SCHEMBL9124355

SCHEMBL9124355

CC1(C)CC=CCC1(CC1CC=CCC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.36
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 3/20 0.36
PKM P14618 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL1123773 0.76 KDM4E (0.35) KDM4EALDH1A1TDP1PKMCYP1A2
SCHEMBL3025117 0.70 KDM4E (0.34) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL28374240 0.67 KDM4E (0.33) KDM4EALDH1A1TDP1PKMCYP1A2
SCHEMBL17092523 0.67 KDM4E (0.36) KDM4EALDH1A1TDP1PKMCYP1A2
SCHEMBL28067611 0.66 KDM4E (0.35) KDM4EALDH1A1TDP1PKMCYP1A2
Acetic Acid SCHEMBL4904233 0.65 KDM4E (0.43) KDM4EALDH1A1TDP1PKMCYP1A2
SCHEMBL23319670 0.65 KDM4E (0.40) KDM4EALDH1A1TDP1PKMCYP1A2
SCHEMBL28353604 0.65 KDM4E (0.36) KDM4EALDH1A1TDP1PKMCYP1A2
SCHEMBL28432962 0.65 KDM4E (0.36) KDM4EALDH1A1TDP1PKMCYP1A2
SCHEMBL22587458 0.64 KDM4E (0.43) KDM4EALDH1A1TDP1PKMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378736-A Epoxidized polylactone, coatings DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-03 US disclosed
EP-0466596-B1 Lactone-modified alicyclic composition, and an epoxidized composition thereof DAICEL CHEM (JP) 1994-10-05 EP disclosed
US-5338879-A Useful in coating compositions; curable DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-16 US disclosed
EP-0459913-B1 Composition comprising a novel alicyclic compound, a process for the preparation thereof, a curable composition, and a photo-polymerizable composition DAICEL CHEM (JP) 1994-07-27 EP disclosed
US-5198509-A Curable composition with epoxy groups and esters DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-30 US disclosed
US-5169965-A Heat-curable or photocurable compounds; coatings; toughness; finishing; low-temperature cure DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-08 US disclosed
EP-0466596-A2 Lactone-modified alicyclic composition, and an epoxidized composition thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-15 EP disclosed
EP-0459913-A2 Composition comprising a novel alicyclic compound, a process for the preparation thereof, a curable composition, and a photo-polymerizable composition DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-12-04 EP disclosed