SCHEMBL9511809

SCHEMBL9511809

O=C(OCc1ccccc1)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
HSD17B10 Q99714 2/20 0.60
MEN1 O00255 2/20 0.60
HTT P42858 1/20 0.60
GFER P55789 1/20 0.60
NR4A1 P22736 1/20 0.59
NR4A2 P43354 1/20 0.59
NR4A3 Q92570 1/20 0.59
SRD5A2 P31213 4/20 0.55
PLA2G4B P0C869 1/20 0.52
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
LMNA P02545 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAP4K4 O95819 1/20 0.47
PKM P14618 1/20 0.46
PTPN1 P18031 1/20 0.46
MAOB P27338 1/20 0.45

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
Hydrochloric Acid SCHEMBL9513862 0.98 KMT2A (0.59) KMT2AHSD17B10MEN1HTTGFER
SCHEMBL9328838 0.95 KMT2A (0.65) KMT2AHSD17B10MEN1HTTGFER
Hydrochloric Acid SCHEMBL9488543 0.94 KMT2A (0.63) KMT2AHSD17B10MEN1HTTGFER
SCHEMBL10596156 0.91 KMT2A (0.55) KMT2AHSD17B10MEN1HTTGFER
SCHEMBL9330026 0.90 KMT2A (0.59) KMT2AHSD17B10MEN1HTTGFER
SCHEMBL9513856 0.88 KMT2A (0.51) KMT2AHSD17B10MEN1HTTGFER
SCHEMBL697595 0.84 KMT2A (0.60) KMT2AHSD17B10MEN1HTTGFER
SCHEMBL15242478 0.83 MAOB (0.67) KMT2AHSD17B10MEN1HTTGFER
SCHEMBL9328632 0.83 KMT2A (0.55) KMT2AHSD17B10MEN1HTTGFER
SCHEMBL1927968 0.82 LMNA (0.59) KMT2AHSD17B10MEN1HTTGFER

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277241-B1 LIQUID CRYSTAL POLYMER IDEMITSU KOSAN CO (JP) 1993-11-03 EP disclosed
US-4915867-A COMPOUND HYDROGEN BONDED TO NON-LIQUID CRYSTALLINE POLYMER Idemtsu Kosan Company Limited (JP) 1990-04-10 US disclosed
EP-0277241-A1 LIQUID CRYSTAL POLYMER IDEMITSU KOSAN LIMITED (JP) 1988-08-10 EP disclosed