SCHEMBL7694775

SCHEMBL7694775

CCOC(=O)C1CCCC(C(=O)OCC)N1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALDH1A1 P00352 6/20 0.41
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
MAPT P10636 3/20 0.40
TLR4 O00206 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37

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
Hydrochloric Acid SCHEMBL11628355 0.98 TSHR (0.48) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL14400889 0.91 PPM1B (0.43) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL4521342 0.91 PPM1B (0.43) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL9083280 0.91 PPM1B (0.43) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL14393314 0.91 PPM1B (0.43) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL9083292 0.91 PPM1B (0.43) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL4415431 0.91 PPM1B (0.43) ALDH1A1PPM1BPTPN1PPP1CCMAPT
Hydrochloric Acid SCHEMBL4415434 0.89 PPM1B (0.42) TSHRALDH1A1PPM1BPTPN1PPP1CC
Hydrochloric Acid SCHEMBL4415435 0.89 PPM1B (0.42) TSHRALDH1A1PPM1BPTPN1PPP1CC
Hydrochloric Acid SCHEMBL4415429 0.89 PPM1B (0.42) TSHRALDH1A1PPM1BPTPN1PPP1CC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346547-B1 TREATING ATHEROSCLEROSIS, RESTENOSIS AND STROKE CHECKPOINT, GENETICS, INC. 2002-02-12 US disclosed
EP-1153010-A1 $i(N)-SUBSTITUTED AMINO ACIDS, ANTIOXIDANT PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND METHODS USING SAME Checkpoint Genetics, Inc. (US) 2001-11-14 EP disclosed
WO-2000046183-A1 N-SUBSTITUTED AMINO ACIDS, ANTIOXIDANT PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND METHODS USING SAME CHECKPOINT GENETICS, INC. (US) 2000-08-10 WO disclosed