SCHEMBL11265196

SCHEMBL11265196

CC(C)(C)c1ccc(Oc2coc(C(=O)O)cc2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR4A2 P43354 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FGFR2 P21802 2/20 0.40
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
XDH P47989 1/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
POLB P06746 1/20 0.38
APOBEC3A P31941 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38

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
SCHEMBL11261990 0.84 MAOB (0.44) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL11270952 0.83 NPC1 (0.43) ALDH1A1POLBAPOBEC3ACTDSP1APOBEC3G
SCHEMBL11282494 0.74 CASP1 (0.41) ALDH1A1SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL11266671 0.74 SRD5A2 (0.51) ALDH1A1NR4A2RXRARXRBSMN1; SMN2
SCHEMBL3217997 0.73 SMN1; SMN2 (0.55) ALDH1A1HPGDNPSR1SMN1; SMN2MAPT
SCHEMBL11267250 0.72 HTT (0.53) ALDH1A1HPGDRXRASMN1; SMN2TDP1
SCHEMBL10328613 0.71 ALDH1A1 (0.40) ALDH1A1HPGDRXRARXRBSMN1; SMN2
SCHEMBL11277288 0.70 THRA (0.39) ALDH1A1HPGDTDP1KDM4E
SCHEMBL2448070 0.70 RXRB (0.39) NR4A2RXRARXRBTDP1NR4A1
SCHEMBL31203341 0.70 KDM4E (0.42) ALDH1A1HPGDSMN1; SMN2MAPTTDP1

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-4364956-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1982-12-21 US disclosed