SCHEMBL9299796

SCHEMBL9299796

CC1(C)Oc2ccc(C#N)cc2[C@H](n2cc(CO)ccc2=O)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.56
ABCC8 Q09428 2/20 0.56
KCNJ11 Q14654 2/20 0.56
KCNJ8 Q15842 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 1/20 0.56
ABCB1 P08183 5/20 0.52
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48

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
SCHEMBL9299804 1.00 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9299800 1.00 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9301398 0.88 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9301393 0.88 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9301388 0.88 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7277129 0.86 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9299506 0.86 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9299509 0.86 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9301535 0.86 ABCB1 (0.56) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9299501 0.86 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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