SCHEMBL8668728

SCHEMBL8668728

CCOc1ccc2c(O)c(C(=O)O)cnc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ADORA1 P30542 3/20 0.41
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
MAPK8 P45983 2/20 0.37
ADORA2A P29274 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABRP O00591 1/20 0.34

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
SCHEMBL8327448 0.86 NPC1 (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL9690645 0.86 TDP1 (0.50) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL8326516 0.78 MEN1 (0.46) MAPTKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL2420837 0.78 KMT2A (0.40) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL11035983 0.78 MAPT (0.47) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23145042 0.77 KMT2A (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL29843352 0.77 KMT2A (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL8324245 0.77 TSHR (0.42) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL1902321 0.76 KDM4E (0.44) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL8561203 0.75 GAA (0.49) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A

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
US-5780482-A TREATING RHEUMATIC DISEASES KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed