SCHEMBL6870709

SCHEMBL6870709

OCC(Cc1noc(-c2ccccc2)n1)C(O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.62
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 2/20 0.49
PKM P14618 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HDAC6 Q9UBN7 3/20 0.47
HTT P42858 1/20 0.47
NR1H4 Q96RI1 2/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
FFAR1 O14842 1/20 0.41
PPARD Q03181 1/20 0.41
CHUK O15111 1/20 0.40

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
SCHEMBL19111926 0.83 NOTUM (0.63) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4865565 0.77 NOTUM (1.00) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14122701 0.77 NOTUM (0.63) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10130649 0.76 NOTUM (0.62) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8433805 0.76 NOTUM (0.57) NOTUMNPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8437873 0.75 NOTUM (0.56) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9005927 0.74 NOTUM (0.74) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7585415 0.73 NPC1 (0.79) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6206857 0.72 NOTUM (0.60) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21776935 0.72 NOTUM (0.70) NOTUMNPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470514-B1 PSEUDO-DIPEPTIDES AS MMP INHIBITORS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-12 EP disclosed
WO-2011023864-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-03 WO disclosed