SCHEMBL9802602

SCHEMBL9802602

CC(C)(C)CC(=O)Oc1cccc2c1CC(c1ccccc1)C=C2CNC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
KCNA5 P22460 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
KDM4A O75164 1/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL9802613 0.84 NPC1 (0.32) KDM4ESMN1; SMN2GAARAB9A
SCHEMBL9802835 0.84 HDAC1 (0.40) KCNA5BRD4CREBBPMALT1KDM4A
SCHEMBL7312490 0.79 HDAC1 (0.41) KCNA5MEN1KMT2ABRD4CREBBP
SCHEMBL7446408 0.79 DRD2 (0.35) KCNA5KDM4ELMNAHPGDMEN1
Hydrochloric Acid SCHEMBL7447474 0.79 DRD2 (0.35) KCNA5KDM4ELMNAHPGDMEN1
SCHEMBL7315264 0.79 KDM4A (0.36) KCNA5KDM4ELMNAHPGDMEN1
SCHEMBL7447927 0.73 KMT2A (0.38) KMT2AATM
SCHEMBL7447921 0.73 KMT2A (0.38) KMT2AATM
Hydrochloric Acid SCHEMBL7440751 0.72 KMT2A (0.37) KMT2AATM
SCHEMBL9802336 0.70 KDM4E (0.43) KDM4ELMNAHPGDMEN1ALDH1A1

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-4994486-A Neurological disorders ABBOTT LABORATORIES (US) 1991-02-19 US disclosed