SCHEMBL7652504

SCHEMBL7652504

CCOC(=O)CNC(=O)c1cc(-c2ccc3c(c2)OCO3)c2c3c(ccc2c1)OCO3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 4/20 0.54
TP53 P04637 2/20 0.54
GLA P06280 1/20 0.54
ALDH1A1 P00352 5/20 0.49
BRCA1 P38398 1/20 0.49
KDM4E B2RXH2 5/20 0.48
LMNA P02545 1/20 0.45
PRKCI P41743 1/20 0.43
PRKCZ Q05513 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL7659381 0.86 KDM4E (0.49) RAB9ANPC1TP53ALDH1A1KDM4E
SCHEMBL7657293 0.82 UCHL1 (0.46) RAB9ANPC1LMNAKMT2AGAA
Hydrochloric Acid SCHEMBL7655814 0.79 FYN (0.50) RAB9ANPC1TP53ALDH1A1KDM4E
SCHEMBL7652092 0.77 ALDH1A1 (0.50) TP53ALDH1A1KDM4EPOLBHPGD
SCHEMBL7652482 0.76 CHEK2 (0.47) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7663316 0.75 GABRA1 (0.45) RAB9ANPC1HPGD
SCHEMBL7662205 0.72 SIRT2 (0.53) RAB9ANPC1TP53ALDH1A1KDM4E
SCHEMBL8081307 0.69 KDM4E (0.40) RAB9ANPC1TP53ALDH1A1KDM4E
SCHEMBL7662979 0.69 NPC1 (0.60) RAB9ANPC1TP53ALDH1A1KDM4E
SCHEMBL7656725 0.68 NR4A2 (0.45) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2

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-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed