SCHEMBL20072199

SCHEMBL20072199

CCOC(=O)CCC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)CCC1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ MMEL1 Q495T6 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ P2RX7 Q99572 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ SRR Q9GZT4 2/20 0.40
▸ PSAT1 Q9Y617 2/20 0.40
▸ MME P08473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MGLL Q99685 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL18576791 0.87 MMEL1 (0.43) ALDH1A1MMEL1ATML3MBTL1PTPN1
SCHEMBL18576792 0.87 MMEL1 (0.43) ALDH1A1MMEL1ATML3MBTL1PTPN1
SCHEMBL1908585 0.82 ALDH1A1 (0.43) ALDH1A1PKMP2RX7MME
SCHEMBL22996235 0.82 ALDH1A1 (0.43) ALDH1A1PKMP2RX7MME
SCHEMBL598698 0.82 ALDH1A1 (0.43) ALDH1A1PKMP2RX7MME
SCHEMBL597533 0.77 SRR (0.50) ALDH1A1MMEL1ATML3MBTL1PTPN1
SCHEMBL1908571 0.77 SRR (0.50) ALDH1A1MMEL1ATML3MBTL1PTPN1
Hydrochloric Acid SCHEMBL597532 0.76 SRR (0.51) ALDH1A1MMEL1ATML3MBTL1PTPN1
Hydrochloric Acid SCHEMBL597534 0.76 SRR (0.51) ALDH1A1MMEL1ATML3MBTL1PTPN1
SCHEMBL28390958 0.75 ALDH1A1 (0.43) ALDH1A1PKMP2RX7SRRPSAT1

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
WO-2018069833-A1 STABLE AMORPHOUS FORM OF SACUBITRIL VALSARTAN TRISODIUM COMPLEX AND PROCESSES FOR PREPARATION THEREOF LAURUS LABS LIMITED (IN) 2018-04-19 — — WO disclosed
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