SCHEMBL10388017

SCHEMBL10388017

CCOC(=O)C#CCOC(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 3/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
KCNH2 Q12809 1/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 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
SCHEMBL3317068 0.81 KMT2A (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL10386661 0.74 EPHX1 (0.47) ALDH1A1RECQLNPSR1KDM4EL3MBTL1
SCHEMBL10808875 0.72
SCHEMBL19916021 0.72 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL3140458 0.72 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL10811674 0.70 SLC6A2 (0.37) ALDH1A1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL28697579 0.70 ALDH1A1 (0.34) KMT2AALDH1A1L3MBTL1THRBATM
SCHEMBL3136099 0.70 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1TSHRCYP2D6
SCHEMBL14920073 0.69 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL10386496 0.69 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TSHRPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914227-A FOR VASODILATING AND HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1990-04-03 US claimed
EP-0101023-B1 PROCESS FOR PREPARING 2-CARBAMOYLOXYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND INTERMEDIATES USEFUL FOR THE PROCESS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-07-29 EP claimed
EP-0101023-A1 Process for preparing 2-carbamoyloxyalkyl-1,4-dihydropyridine derivatives and intermediates useful for the process BANYU PHARMACEUTICAL CO., LTD. (JP) 1984-02-22 EP claimed
US-4958024-A REACTION OF CARBAMATE SUBSTITUTED ACRYLIC ESTER, VASODILATORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1990-09-18 US disclosed
US-4914227-A FOR VASODILATING AND HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1990-04-03 US disclosed
US-4739106-A VASODILATION, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0101023-B1 PROCESS FOR PREPARING 2-CARBAMOYLOXYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND INTERMEDIATES USEFUL FOR THE PROCESS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-07-29 EP disclosed
EP-0101023-A1 Process for preparing 2-carbamoyloxyalkyl-1,4-dihydropyridine derivatives and intermediates useful for the process BANYU PHARMACEUTICAL CO., LTD. (JP) 1984-02-22 EP disclosed