SCHEMBL3715569

SCHEMBL3715569

CC(=O)Nc1ccc(C(C)=O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
NPC1 O15118 1/20 0.67
MAPT P10636 1/20 0.67
RAB9A P51151 1/20 0.67
PRKCI P41743 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HDAC1 Q13547 2/20 0.47
TP53 P04637 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PTGS2 P35354 1/20 0.47
JAK3 P52333 1/20 0.47
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.45
APOBEC3A P31941 1/20 0.45
GFER P55789 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PHPT1 Q9NRX4 1/20 0.45
NEU3 Q9UQ49 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
SCHEMBL19405908 0.87 NPC1 (0.50) POLBNPC1MAPTRAB9APRKCI
3-Hydroxy-4-Acetylaminobenzoic Acid SCHEMBL8018270 0.87 MAPT (0.65) POLBNPC1MAPTRAB9AALDH1A1
3-Hydroxy-4-Acetylaminobenzoic Acid SCHEMBL31026207 0.87 MAPT (0.65) POLBNPC1MAPTRAB9AALDH1A1
SCHEMBL1544846 0.85 POLB (0.57) POLBNPC1MAPTRAB9APRKCI
SCHEMBL4218090 0.84 ALDH1A1 (0.64) POLBNPC1MAPTRAB9AALDH1A1
SCHEMBL4958020 0.82 MAPT (0.69) POLBNPC1MAPTRAB9AALDH1A1
SCHEMBL1108312 0.82 PRKCI (0.65) POLBNPC1MAPTRAB9APRKCI
SCHEMBL3362895 0.81 ALDH1A1 (0.55) POLBNPC1MAPTRAB9APRKCI
SCHEMBL30275453 0.81 ALDH1A1 (0.55) POLBNPC1MAPTRAB9APRKCI
SCHEMBL12432308 0.81 GAA (0.46) POLBNPC1MAPTRAB9APRKCI

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
WO-2010129467-A1 COMPOUNDS AND METHODS FOR INHIBITION OF RENIN, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129467-A1 COMPOUNDS AND METHODS FOR INHIBITION OF RENIN, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2010-11-11 WO disclosed