SCHEMBL9300902

SCHEMBL9300902

CC(=O)OC1C(n2ccc(CO[N+](=O)[O-])cc2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.43
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
KCNJ8 Q15842 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
ABCB1 P08183 7/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9299981 0.92 ABCC9 (0.42) ABCC9CYP3A4ALOX15ABCC8KCNJ11
SCHEMBL9300287 0.91 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9299368 0.90 ABCC9 (0.51) ABCC9CYP3A4ALOX15ABCC8KCNJ11
SCHEMBL9299091 0.89 ABCC9 (0.43) ABCC9CYP3A4ALOX15ABCC8KCNJ11
SCHEMBL9300251 0.88 CYP3A4 (0.42) ABCC9CYP3A4ALOX15ABCC8KCNJ11
SCHEMBL9300263 0.88 CYP3A4 (0.42) ABCC9CYP3A4ALOX15ABCC8KCNJ11
SCHEMBL9300258 0.88 CYP3A4 (0.42) ABCC9CYP3A4ALOX15ABCC8KCNJ11
SCHEMBL9299930 0.87 ABCC9 (0.45) ABCC9CYP3A4ALOX15ABCC8KCNJ11
SCHEMBL9299923 0.87 ABCC9 (0.45) ABCC9CYP3A4ALOX15ABCC8KCNJ11
SCHEMBL9299919 0.87 ABCC9 (0.45) ABCC9CYP3A4ALOX15ABCC8KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296492-A Certain chroman derivatives useful for treating symptoms caused by contraction of smooth muscles, circulatory diseases or epilepsy NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-03-22 US disclosed
EP-0518342-A1 Chroman derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-12-16 EP disclosed