SCHEMBL27632003

SCHEMBL27632003

CC(=Cc1ccc2c(c1)CCC2NCCc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
BLM P54132 1/20 0.45
MTNR1A P48039 2/20 0.43
HTR1A P08908 1/20 0.43
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
FAAH O00519 1/20 0.42
BCHE P06276 1/20 0.42
MAPT P10636 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42

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
SCHEMBL5741253 0.86 MEN1 (0.50) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL5741250 0.86 MEN1 (0.50) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL5744501 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL5744492 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL5992968 0.83 MEN1 (0.52) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL5992976 0.83 MEN1 (0.52) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL22516782 0.83 MEN1 (0.49) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL5991491 0.82 HDAC1 (0.60) MEN1KMT2A
SCHEMBL30985375 0.82 HDAC1 (0.60) MEN1KMT2A
SCHEMBL5994490 0.82 HDAC1 (0.60) MEN1KMT2A

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
CN-1805930-A Hydroxamic acids useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORP (US) 2006-07-19 CN disclosed