SCHEMBL8042424

SCHEMBL8042424

CCC1CCC(Nc2ccccc2)(Nc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
ALOX12 P18054 1/20 0.41
NR5A2 O00482 9/20 0.39
NR5A1 Q13285 7/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.33
NPY1R P25929 1/20 0.32
GBA1 P04062 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32

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
SCHEMBL8055204 0.82 NR5A1 (0.42) ALDH1A1GAANR5A2NR5A1
SCHEMBL8058024 0.79 CYP2C9 (0.39) KDM4EALDH1A1MAPTALOX12NR5A2
SCHEMBL8060418 0.75 GLA (0.47) KDM4EALDH1A1GAAMAPTNR5A2
SCHEMBL8093890 0.73 OPRM1 (0.47) KDM4EALDH1A1GAAMAPTALOX12
SCHEMBL12425775 0.70 CARM1 (0.49) KDM4EALDH1A1MAPTALOX12MEN1
SCHEMBL8019111 0.70 HTR2B (0.39) ALDH1A1
SCHEMBL12844042 0.69 OPRL1 (0.49) KDM4EALDH1A1GAAMAPTALOX12
SCHEMBL25740959 0.69 OPRL1 (0.49) KDM4EALDH1A1GAAMAPTALOX12
SCHEMBL8766901 0.66 OPRM1 (0.42) KDM4EALDH1A1GAAMAPTALOX12
SCHEMBL21233795 0.65 FFAR4 (0.57) KDM4EALDH1A1GAAMAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6031067-A Soluble polyimide resin and process of preparation of the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-02-29 US disclosed