SCHEMBL10063265

SCHEMBL10063265

CC(C)CC(=O)NCCc1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
F13A1 P00488 1/20 0.62
HPGD P15428 2/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
ESRRG P62508 5/20 0.56
ESRRB O95718 3/20 0.56
NAMPT P43490 1/20 0.54
POLB P06746 1/20 0.52
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C19 P33261 1/20 0.49
GFER P55789 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
SCHEMBL16674421 0.87 HPGD (0.59) KDM4EF13A1HPGDALDH1A1KMT2A
SCHEMBL14511344 0.87 HPGD (0.59) KDM4EHPGDALDH1A1KMT2ANAMPT
SCHEMBL6045130 0.85 KMT2A (0.79) HPGDALDH1A1KMT2ANAMPTPOLB
SCHEMBL2723945 0.84 KDM4E (0.58) KDM4EF13A1ESRRGESRRBTMEM97
SCHEMBL18672199 0.83 MAPT (0.65) KDM4EHPGDALDH1A1KMT2APOLB
SCHEMBL21740800 0.83 SMN1; SMN2 (0.65) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL22702503 0.82 POLB (0.78) KDM4EF13A1HPGDALDH1A1KMT2A
SCHEMBL14370357 0.82 KDM4E (0.69) KDM4EF13A1ESRRGESRRBTMEM97
SCHEMBL5185948 0.82 HPGD (0.57) KDM4EHPGDALDH1A1KMT2ANAMPT
SCHEMBL23467854 0.81 POLB (0.55) HPGDALDH1A1KMT2ANAMPTPOLB

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
US-20120021933-A1 SMALL MOLECULE PRINTING PARK SEUNG BUM (US) 2012-01-26 US disclosed