SCHEMBL9033301

SCHEMBL9033301

COC(=O)C1=C(C)NC(C)=C(C(=O)OCOC(=O)C(C)(C)C)C1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPT P10636 2/20 0.50
RECQL P46063 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
HPGD P15428 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADORA3 P0DMS8 3/20 0.43
USP2 O75604 1/20 0.43
ABCB11 O95342 1/20 0.41

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
SCHEMBL9032463 0.94 KDM4E (0.62) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL9033075 0.89 KDM4E (0.55) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL8197541 0.81 ADORA3 (0.71) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL9831380 0.80 KDM4E (0.86) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL8106730 0.80 KDM4E (0.86) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL9831160 0.79 KDM4E (0.64) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL3775215 0.76 KDM4E (0.62) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL8203346 0.76 CACNA1C (0.71) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8198332 0.76 ABCB11 (0.74) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL9034838 0.74 TSHR (0.39) KDM4ELMNAALDH1A1HSD17B10MAPT

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
EP-0474129-B1 1,4-Dihydropyridine derivatives and process for preparing the same ACHIWA KAZUO (JP) 1996-12-18 EP disclosed
US-5336774-A 1,4-dihydropyridine 3,5 carboxyl compounds ACHIWA KAZUO (JP) 1994-08-09 US disclosed
US-5234821-A Process for preparing 1,4 dihydropyridine compounds ACHIWA KAZUO (JP) 1993-08-10 US disclosed
EP-0474129-A2 1,4-Dihydropyridine derivatives and process for preparing the same Achiwa, Kazuo (JP) 1992-03-11 EP disclosed