SCHEMBL3908736

SCHEMBL3908736

NCCC(CC(=O)c1ccco1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
MAPT P10636 6/20 0.44
ALDH1A1 P00352 6/20 0.44
POLB P06746 3/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
TSHR P16473 3/20 0.42
PTPN1 P18031 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL7318920 0.81 CPA1 (0.62) ERCC5FEN1MAPTALDH1A1TSHR
SCHEMBL6046233 0.78 ERCC5 (0.53) ERCC5FEN1MAPTALDH1A1POLB
SCHEMBL27564320 0.76 ERCC5 (0.54) ERCC5FEN1MAPTALDH1A1POLB
SCHEMBL7312766 0.73 ALDH1A1 (0.50) ERCC5FEN1ALDH1A1POLBHPGD
SCHEMBL6932749 0.73
SCHEMBL17503961 0.72 ERCC5 (0.44) ERCC5FEN1MAPTALDH1A1POLB
SCHEMBL2589028 0.72 CYP1A2 (0.70) CYP1A2CPA1CPB1CPA3CPB2
SCHEMBL14073806 0.72 ALDH1A1 (0.56) ERCC5FEN1MAPTALDH1A1POLB
SCHEMBL7902879 0.71 KMT2A (0.56) ERCC5FEN1MAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL4971503 0.71 ALDH1A1 (0.56) ERCC5FEN1MAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601370-B2 Method for controlling body weight in estrogen-insufficient women ABBOTT LABORATORIES (US) 2009-10-13 US disclosed
US-7435431-B2 Method for controlling body weight in estrogen-insufficient women ABBOTT LABORATORIES (US) 2008-10-14 US disclosed
US-20080242592-A1 METHOD FOR CONTROLLING BODY WEIGHT IN ESTROGEN-INSUFFICIENT WOMEN ABBOTT LABORATORIES (US) 2008-10-02 US disclosed
EP-1773364-B1 NUTRITIONAL COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING OSTEOPOROSIS ABBOTT LAB (US) 2008-10-01 EP disclosed
WO-2008076579-A2 METHOD OF CONTROLLING BODY WEIGHT IN ESTROGEN-INSUFFICIENT WOMEN ABBOT LABORATORIES (US) 2008-06-26 WO disclosed
US-20070098821-A1 Method for controlling body weight in estrogen-insufficient women ABBOTT LABORATORIES 2007-05-03 US disclosed
US-20060040001-A1 Nutritional compositions and methods for treating or preventing osteoporosis ABBOTT LABORATORIES 2006-02-23 US disclosed