SCHEMBL9299692

SCHEMBL9299692

CCOC(=O)c1ccn(C2=CC(C)(C)Oc3ccc(C#N)cc32)c(=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ABCC9 O60706 1/20 0.37
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
GRM5 P41594 1/20 0.34
POLB P06746 1/20 0.34
ELANE P08246 6/20 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
SCHEMBL9299283 0.84 PDE4A (0.38) MAPTALDH1A1RECQLGABRA1GABRG2
SCHEMBL10695963 0.83 ALDH1A1 (0.41) MAPTALDH1A1RECQLUSP2ALOX15
SCHEMBL8090538 0.83 PDE4A (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9299131 0.83 ALOX5 (0.39) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL9299133 0.83 ALOX5 (0.39) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL9299769 0.82 PDE4A (0.40) MAPTALDH1A1RECQLGABRA1GABRG2
SCHEMBL8077042 0.81 PDE4A (0.42) MAPTALDH1A1PDE4APDE4BPDE4C
SCHEMBL7269375 0.81 PDE4A (0.42) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL7277024 0.81 ALDH1A1 (0.42) MAPTALDH1A1RECQLUSP2ALOX15
SCHEMBL9300068 0.80 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DABCC9

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