SCHEMBL7096701

SCHEMBL7096701

CC(C)C(C(=O)O)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 2/20 0.66
MEN1 O00255 2/20 0.58
PBRM1 Q86U86 1/20 0.57
GPR84 Q9NQS5 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ATM Q13315 1/20 0.53
NR4A2 P43354 2/20 0.53
CREBBP Q92793 1/20 0.53
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
APAF1 O14727 1/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.51
ADAM17 P78536 1/20 0.50

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
SCHEMBL5162767 0.84 KMT2A (0.69) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL3173912 0.82 KMT2A (0.76) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL31588275 0.82 KMT2A (0.76) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL5738792 0.80 KMT2A (0.71) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL17870784 0.80 KMT2A (1.00) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL5738787 0.80 KMT2A (0.71) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL17870755 0.80 KMT2A (1.00) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL5160622 0.79 KMT2A (0.61) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL29072531 0.78 KMT2A (0.61) KMT2AALDH1A1MEN1PBRM1GPR84
SCHEMBL7099040 0.78 KMT2A (0.61) KMT2AALDH1A1MEN1PBRM1GPR84

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-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP disclosed