SCHEMBL11267790

SCHEMBL11267790

COC(=O)[C@H](Cc1c[nH]cn1)N(C(=O)OCc1ccccc1)C(=O)c1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.37
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPOR P19235 2/20 0.35
LTA4H P09960 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
CTRB1 P17538 1/20 0.33

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
SCHEMBL11266036 0.82 ABCB1 (0.43) ABCB1SMN1; SMN2F2PLAUPLAT
SCHEMBL7328213 0.81 ABCB1 (0.47) ABCB1EPORLTA4HALDH1A1TRPM8
SCHEMBL11639032 0.79 CTRB1 (0.39) ABCB1KMT2AALDH1A1MAPTCTRB1
SCHEMBL7333726 0.75 ABCB1 (0.43) ABCB1MEN1KMT2AALDH1A1MAPT
Water SCHEMBL11367764 0.75 ITGB3 (0.35) CTRB1
SCHEMBL10443979 0.74 SLC15A1 (0.40) ABCB1PKMLTA4HMEN1KMT2A
SCHEMBL9320151 0.74 TPSAB1 (0.43) MAPT
SCHEMBL7267095 0.74 POLB (0.45) MAPT
SCHEMBL9748132 0.74 L3MBTL1 (0.43) ALDH1A1MAPT
SCHEMBL7938097 0.73 ANPEP (0.38) MEN1KMT2AALDH1A1MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337339-A Process for preparation of folic acid derivatives BAKER INSTRUMENTS CORP. (US) 1982-06-29 US disclosed
US-4326060-A 6-FORMYLPTERIN, P-AMINOBENZOYL AMINO ACID BAKER INSTRUMENTS CORPORATION (US) 1982-04-20 US disclosed
US-4314988-A Folic acid derivatives and process for preparation BAKER INSTRUMENTS CORP. (US) 1982-02-09 US disclosed
US-4298735-A Folic acid derivatives UNION CARBIDE CORPORATION (US) 1981-11-03 US disclosed