SCHEMBL8611162

SCHEMBL8611162

CC1(C)Oc2ccc(C#N)cc2[C@@H](N(CC(=O)O)c2ccccc2)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 1/20 0.61
ABCB1 P08183 10/20 0.59
KCNE1 P15382 4/20 0.59
KCNQ1 P51787 4/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
KCND3 Q9UK17 1/20 0.59
ABCC8 Q09428 1/20 0.56
KCNJ11 Q14654 1/20 0.56

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
SCHEMBL8615116 1.00 KDM4E (0.62) KDM4ECYP3A4ALOX15ABCB1KCNE1
SCHEMBL8641940 1.00 KDM4E (0.62) KDM4ECYP3A4ALOX15ABCB1KCNE1
SCHEMBL8611179 1.00 KDM4E (0.62) KDM4ECYP3A4ALOX15ABCB1KCNE1
SCHEMBL8612738 0.92 KDM4E (0.60) KDM4ECYP3A4ALOX15ABCB1KCNE1
SCHEMBL8612734 0.92 KDM4E (0.60) KDM4ECYP3A4ALOX15ABCB1KCNE1
SCHEMBL9226824 0.92 KDM4E (0.60) KDM4ECYP3A4ALOX15ABCB1KCNE1
SCHEMBL9227748 0.92 ABCB1 (0.60) KDM4ECYP3A4ALOX15ABCB1KCNE1
SCHEMBL9227740 0.92 ABCB1 (0.60) KDM4ECYP3A4ALOX15ABCB1KCNE1
SCHEMBL9224973 0.91 KDM4E (0.59) KDM4ECYP3A4ALOX15ABCB1KCNE1
SCHEMBL9229335 0.91 ABCC8 (0.68) KDM4ECYP3A4ALOX15ABCB1KCNE1

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
US-5837702-A HAVING POTASSIUM CHANNEL ACTIVATING ACTIVITY USEFUL AS CARDIOVASCULAR AGENTS AND TREATMENT OF ISCHEMIA BRISTOL-MYERS SQUIBB CO. (US) 1998-11-17 US claimed
EP-0648758-A1 4-Arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 EP claimed
US-5837702-A HAVING POTASSIUM CHANNEL ACTIVATING ACTIVITY USEFUL AS CARDIOVASCULAR AGENTS AND TREATMENT OF ISCHEMIA BRISTOL-MYERS SQUIBB CO. (US) 1998-11-17 US disclosed
EP-0648758-A1 4-Arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 EP disclosed