SCHEMBL7337208

SCHEMBL7337208

CCOC(=O)CC(N)c1cc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
RAB9A P51151 6/20 0.47
MAPT P10636 6/20 0.47
NPC1 O15118 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TP53 P04637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL9587127 0.80 MEN1 (0.46) MAOBRAB9AMAPTNPC1MEN1
SCHEMBL6070813 0.79 FLT3 (0.51) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL4502411 0.76 MAPT (0.57) MAOBRAB9AMAPTNPC1MEN1
SCHEMBL21284320 0.76 GAA (0.50) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL11292774 0.76 MAOB (0.50) MAOBRAB9AMAPTNPC1MEN1
SCHEMBL5947962 0.75 MAOB (0.52) MAOBRAB9AMAPTNPC1MEN1
SCHEMBL12086996 0.75 TAS1R3 (0.50) MAOBRAB9AMAPTNPC1MEN1
SCHEMBL10368390 0.75 TAS1R3 (0.50) MAOBRAB9AMAPTNPC1MEN1
SCHEMBL6618232 0.75 MAPT (0.57) MAOBRAB9AMAPTNPC1MEN1
SCHEMBL4502414 0.75 MAOB (0.49) MAOBRAB9AMAPTNPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed