SCHEMBL9681272

SCHEMBL9681272

CC(C)Oc1ccc(C(=O)C(C)(C)N(C)CCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
PARP10 Q53GL7 1/20 0.46
NR1H4 Q96RI1 1/20 0.43
ALDH1A1 P00352 7/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MCL1 Q07820 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL12315502 0.78 GAA (0.41) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL2402208 0.77 L3MBTL1 (0.47) KMT2ANR1H4ALDH1A1MAPTMEN1
SCHEMBL12532571 0.75 KMT2A (0.63) KMT2APARP10NR1H4ALDH1A1TP53
SCHEMBL2402206 0.74 LMNA (0.42) ALDH1A1MAPTKDM4ELMNAPOLB
SCHEMBL402379 0.74 KMT2A (0.61) KMT2APARP10NR1H4ALDH1A1TP53
SCHEMBL2398977 0.73 THRA (0.39) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL25797231 0.73 KMT2A (0.56) KMT2APARP10NR1H4ALDH1A1TP53
SCHEMBL9681265 0.72 BCHE (0.46) KMT2APARP10ALDH1A1MAPTLMNA
SCHEMBL22548942 0.71 KMT2A (0.58) KMT2APARP10NR1H4ALDH1A1TP53
SCHEMBL22548977 0.71 KMT2A (0.58) KMT2APARP10NR1H4ALDH1A1TP53

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-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed