SCHEMBL11111772

SCHEMBL11111772

CCOC(=O)[C@H]1CC[C@H](C(=O)O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.46
PTPN1 P18031 1/20 0.46
PPP1CC P36873 1/20 0.46
CYP2D6 P10635 2/20 0.43
LMNA P02545 2/20 0.43
BLM P54132 2/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 4/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL14614764 1.00 PPM1B (0.46) PPM1BPTPN1PPP1CCCYP2D6LMNA
SCHEMBL11111768 1.00 PPM1B (0.46) PPM1BPTPN1PPP1CCCYP2D6LMNA
SCHEMBL4415431 0.92 PPM1B (0.43) PPM1BPTPN1PPP1CCLMNAMAPT
SCHEMBL9083280 0.92 PPM1B (0.43) PPM1BPTPN1PPP1CCLMNAMAPT
SCHEMBL4521342 0.92 PPM1B (0.43) PPM1BPTPN1PPP1CCLMNAMAPT
SCHEMBL14400889 0.92 PPM1B (0.43) PPM1BPTPN1PPP1CCLMNAMAPT
SCHEMBL14393314 0.92 PPM1B (0.43) PPM1BPTPN1PPP1CCLMNAMAPT
SCHEMBL9083292 0.92 PPM1B (0.43) PPM1BPTPN1PPP1CCLMNAMAPT
Hydrochloric Acid SCHEMBL4415435 0.90 PPM1B (0.42) PPM1BPTPN1PPP1CCCYP2D6LMNA
Hydrochloric Acid SCHEMBL4415434 0.90 PPM1B (0.42) PPM1BPTPN1PPP1CCCYP2D6LMNA

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-4483991-A Hypotensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1984-11-20 US disclosed