SCHEMBL11190878

SCHEMBL11190878

NC(CCC[C@](N)(C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
TACR1 P25103 2/20 0.45
MME P08473 1/20 0.45
ANPEP P15144 1/20 0.45
ACE P12821 1/20 0.44
CTSL P07711 1/20 0.44
MBTPS1 Q14703 1/20 0.43
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
MAPT P10636 2/20 0.41
S1PR1 P21453 1/20 0.41
TYR P14679 1/20 0.41
SLC15A1 P46059 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR4 O95977 1/20 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
SCHEMBL7133156 0.84 SMN1; SMN2 (0.43) ANPEPALPIPKMPTGS1XIAP
SCHEMBL10774744 0.82 CTSL (0.56) POLBTACR1MMEANPEPACE
Hydrochloric Acid SCHEMBL10775199 0.81 CTSL (0.55) POLBTACR1MMEANPEPACE
SCHEMBL10421087 0.78 SLC1A1 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8818247 0.76 SLC15A1 (0.40) ANPEPCTSLALPIPKMPTGS1
SCHEMBL10420617 0.76 LTA4H (0.43) ANPEPCTSLALPIPKMPTGS1
SCHEMBL10441465 0.75 IDO1 (0.53) ANPEPALPIPKMPTGS1XIAP
SCHEMBL4161005 0.75 IDO1 (0.53) ANPEPALPIPKMPTGS1XIAP
SCHEMBL10459445 0.75 MMP2 (0.58) POLBTACR1MMEANPEPACE
SCHEMBL10459444 0.75 MMP2 (0.58) POLBTACR1MMEANPEPACE

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-4376766-A Anti-sickling agents G.D. SEARLE & CO. (US) 1983-03-15 US disclosed