SCHEMBL22491272

SCHEMBL22491272

CC(C)CC(NC(CCNS(=O)(=O)c1ccccc1-c1ccccc1)C(=O)O)C(=O)O.CC(C)CC(NC(Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 12/20 0.48
SHMT2 P34897 6/20 0.45
CCR1 P32246 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP3 P08254 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
IL1R1 P14778 1/20 0.35
PRKCA P17252 1/20 0.35
TNFRSF1A P19438 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35

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
SCHEMBL6834015 0.90 SHMT1 (0.49) SHMT1SHMT2MAPTLMNAMMP3
SCHEMBL5870566 0.84 SHMT1 (0.60) SHMT1SHMT2MAPTPRKD3PRKCG
SCHEMBL5869868 0.84 SHMT1 (0.60) SHMT1SHMT2MAPTPRKD3PRKCG
SCHEMBL5870570 0.84 SHMT1 (0.60) SHMT1SHMT2MAPTPRKD3PRKCG
SCHEMBL8249164 0.74 KDM4E (0.50) SHMT1SHMT2MAPTLMNAHPGD
SCHEMBL1690993 0.74 KDM4E (0.50) SHMT1SHMT2MAPTLMNAHPGD
SCHEMBL6927461 0.73 ACE2 (0.48) SHMT1SHMT2TLR7
SCHEMBL5869952 0.73 ACE2 (0.48) SHMT1SHMT2TLR7
SCHEMBL5869503 0.73 ACE2 (0.48) SHMT1SHMT2TLR7
SCHEMBL5869959 0.73 ACE2 (0.48) SHMT1SHMT2TLR7

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
EP-3717077-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2020-10-07 EP disclosed