SCHEMBL14817964

SCHEMBL14817964

Cc1ccc(CC(=O)N2CCC(CO)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.64
▸ GRIN2B Q13224 1/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ POLB P06746 3/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ LMNA P02545 1/20 0.55
▸ GAA P10253 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TACR3 P29371 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ EPHX2 P34913 1/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL10510746 0.85 ALOX5 (0.59) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL12459917 0.85 L3MBTL1 (0.50) ALDH1A1GRIN2BPOLBHPGDSMN1; SMN2
SCHEMBL14543057 0.84 ALDH1A1 (0.68) ALDH1A1GRIN2BMEN1KMT2APOLB
SCHEMBL7121816 0.84 MEN1 (0.78) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL19609094 0.82 ALDH1A1 (0.54) ALDH1A1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL27253358 0.81 MEN1 (0.65) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL14817926 0.81 ALDH1A1 (0.71) ALDH1A1GRIN2BMEN1KMT2APOLB
SCHEMBL14297348 0.81 ALDH1A1 (0.71) ALDH1A1GRIN2BMEN1KMT2APOLB
SCHEMBL17572089 0.80 MEN1 (0.69) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL17572094 0.80 MEN1 (0.69) ALDH1A1MEN1KMT2APOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802636-B1 PI3 KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-03-27 — — EP disclosed
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