SCHEMBL27853501

SCHEMBL27853501

CCN(CC)C(C)OC(=O)c1ccccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.55
▸ HSD17B10 Q99714 9/20 0.55
▸ CFTR P13569 1/20 0.51
▸ KDM4E B2RXH2 7/20 0.48
▸ POLB P06746 2/20 0.48
▸ SCN1A P35498 1/20 0.46
▸ SCN2A Q99250 1/20 0.46
▸ SCN3A Q9NY46 1/20 0.46
▸ TSHR P16473 5/20 0.44
▸ HPGD P15428 5/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GLA P06280 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2471464 0.83 LMNA (0.50) ALDH1A1HSD17B10KDM4ESCN1ASCN2A
Hydrochloric Acid SCHEMBL29163806 0.83 LMNA (0.50) ALDH1A1HSD17B10KDM4ESCN1ASCN2A
SCHEMBL28458711 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL8546366 0.80 ALDH1A1 (0.60) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL9566007 0.79 ALDH1A1 (0.56) ALDH1A1HSD17B10CFTRKDM4EPOLB
Acetic Acid SCHEMBL27797755 0.79 SCN1A (0.47) ALDH1A1HSD17B10KDM4ESCN1ASCN2A
SCHEMBL29979726 0.79 ALDH1A1 (0.63) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL3507300 0.79 ALDH1A1 (0.63) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL2469906 0.78 PTGS2 (0.53) ALDH1A1HSD17B10KDM4ESCN1ASCN2A
SCHEMBL28886299 0.78 GAA (0.56) ALDH1A1SCN1ASCN2ASCN3AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102470118-B External preparation containing NSAIDs and process for producing the same NEXT21 KK 2014-12-17 — — CN claimed
CN-102470118-A External preparation containing NSAIDs and process for producing the same NEXT21 KK 2012-05-23 — — CN claimed
CN-102470118-B External preparation containing NSAIDs and process for producing the same NEXT21 KK 2014-12-17 — — CN disclosed
CN-102470118-A External preparation containing NSAIDs and process for producing the same NEXT21 KK 2012-05-23 — — CN disclosed
Send feedback