SCHEMBL9725176

SCHEMBL9725176

O=C(c1ccc(O)cc1)c1ccc(C(=O)c2ccc(O)cc2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
LMNA P02545 2/20 0.64
HTT P42858 2/20 0.64
HPGD P15428 2/20 0.64
ESR1 P03372 1/20 0.64
ESR2 Q92731 1/20 0.64
PKM P14618 1/20 0.64
HSD17B1 P14061 5/20 0.59
HSD17B2 P37059 5/20 0.59
CLK1 P49759 2/20 0.56
DYRK1A Q13627 2/20 0.56
DYRK1B Q9Y463 2/20 0.56
SRD5A2 P31213 1/20 0.54
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48

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
SCHEMBL29171652 0.86 CES2 (0.61) MAPTLMNAHTTHPGDESR1
SCHEMBL10600776 0.80 HSD17B1 (0.59) MAPTLMNAHTTHPGDESR1
SCHEMBL9756786 0.79 MAPT (0.66) MAPTLMNAHTTHPGDSRD5A2
SCHEMBL9147489 0.79 NPC1 (0.53) MAPTLMNAHPGDMAPK1RAB9A
SCHEMBL699850 0.79 LMNA (1.00) MAPTLMNAHTTHPGDESR1
SCHEMBL18423 0.79 LMNA (1.00) MAPTLMNAHTTHPGDESR1
SCHEMBL6495865 0.78 KMT2A (0.66) MAPTLMNAHPGDCLK1DYRK1A
SCHEMBL29056089 0.76 LMNA (0.94) MAPTLMNAHTTHPGDESR1
Methane SCHEMBL6378712 0.76 LMNA (0.94) MAPTLMNAHTTHPGDESR1
SCHEMBL7929114 0.76 LMNA (0.94) MAPTLMNAHTTHPGDESR1

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
EP-0500493-A1 Novel poly(arylene etherketones) CIBA-GEIGY AG (CH) 1992-08-26 EP disclosed