SCHEMBL8645451

SCHEMBL8645451

CC(=O)Nc1ccc(Oc2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 2/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
CYP1A2 P05177 1/20 0.55
MAPK1 P28482 1/20 0.55
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
MAPT P10636 4/20 0.44
ALDH1A1 P00352 1/20 0.44
EPHX1 P07099 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
RAB9A P51151 4/20 0.43
POLB P06746 3/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL923385 0.78 LTA4H (0.41) SMN1; SMN2HPGD
SCHEMBL13665387 0.75 ALOX15 (0.58) HSD17B10ALOX15GAAPKMCYP1A2
SCHEMBL8642777 0.75 PGR (0.56) HSD17B10CYP1A2MAPK1MAPTRAB9A
SCHEMBL8641288 0.73 CYP1A2 (0.43) HSD17B10ALOX15GAAPKMCYP1A2
Diphenylether SCHEMBL27428436 0.72 NAPRT (0.76) HSD17B10GAAMAPTALDH1A1EPHX1
SCHEMBL13200891 0.71 CYP1A2 (1.00) HSD17B10ALOX15GAAPKMCYP1A2
SCHEMBL8641407 0.71 PGR (0.43) HSD17B10CYP1A2MAPK1MAPTSMN1; SMN2
SCHEMBL171438 0.70 HPGD (0.71) HSD17B10GAAMAPTALDH1A1EPHX1
SCHEMBL6489226 0.70 MEN1 (0.46) PKMALDH1A1RAB9APOLBHPGD
SCHEMBL8645376 0.70 PGR (0.55) HSD17B10PKMALDH1A1HPGDLMNA

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-5783597-A ANTIINFLAMMATORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-07-21 US disclosed