SCHEMBL9034838

SCHEMBL9034838

CC1=C(C(=O)OCOC(=O)C(C)(C)C)C(C2CCCCC2)C(C(=O)OCOC(=O)C(C)(C)C)=C(C)N1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ENO1 P06733 1/20 0.34
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 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
SCHEMBL9033584 0.95 POLB (0.36) TSHRLMNATP53SMN1; SMN2KDM4E
SCHEMBL7159469 0.82 KDM4E (0.57) TSHRLMNATP53SMN1; SMN2KDM4E
SCHEMBL11838136 0.80 KDM4E (0.59) TSHRLMNATP53SMN1; SMN2KDM4E
SCHEMBL9046931 0.79 TSHR (0.37) TSHRTP53KDM4ENPSR1POLB
SCHEMBL9032463 0.79 KDM4E (0.62) TSHRLMNATP53SMN1; SMN2KDM4E
SCHEMBL7158370 0.75 TSHR (0.61) TSHRLMNATP53SMN1; SMN2KDM4E
SCHEMBL9033075 0.74 KDM4E (0.55) TSHRLMNATP53SMN1; SMN2KDM4E
SCHEMBL9033301 0.74 KDM4E (0.55) TSHRLMNASMN1; SMN2KDM4EPOLB
SCHEMBL9032390 0.73 TSHR (0.43) TSHRLMNATP53SMN1; SMN2KDM4E
SCHEMBL9032382 0.72 TSHR (0.42) TSHRLMNATP53SMN1; SMN2KDM4E

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