SCHEMBL28244530

SCHEMBL28244530

C=CC(=O)Oc1c(C)ccc2cc(C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2A6 P11509 3/20 0.36
▸ THRB P10828 2/20 0.36
▸ MPL P40238 1/20 0.34
▸ PIN1 Q13526 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ MAP2K7 O14733 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA9 Q16790 2/20 0.33

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
SCHEMBL12149389 0.81 THRB (0.44) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL27947715 0.81 TSHR (0.43) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL28910527 0.81 KDM4E (0.41) HPGDKDM4EALDH1A1HSD17B10LMNA
Hydrogen Sulfide SCHEMBL28837728 0.80 TSHR (0.42) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL18122591 0.77 THRB (0.49) ALDH1A1LMNACYP1A2CYP2A6THRB
SCHEMBL27464291 0.76 TSHR (0.46) HPGDHSD17B10LMNAGAACYP1A2
SCHEMBL27864470 0.74 NCEH1 (0.45) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL25565205 0.73 L3MBTL1 (0.47) HPGDKDM4EALDH1A1HSD17B10THRB
SCHEMBL19999346 0.73 ALDH1A1 (0.55) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL15447077 0.73 TYMS (0.43) ALDH1A1LMNACYP2A6THRBNPC1

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
CN-108603953-A Light diffusing agent, light-diffusing resin composition and formed body 三菱瓦斯化学株式会社 2018-09-28 — — CN disclosed
Send feedback