SCHEMBL9130364

SCHEMBL9130364

NC(CCC(C=O)c1cccs1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
KIF11 P52732 6/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2C19 P33261 1/20 0.38
LTA4H P09960 1/20 0.38
ALOX5 P09917 1/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KEAP1 Q14145 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
SCHEMBL14335054 0.78 KIF11 (0.40) SLC1A3SLC1A2SLC1A1KIF11POLB
SCHEMBL14334652 0.77 POLB (0.43) SLC1A3SLC1A2SLC1A1KIF11POLB
SCHEMBL9130354 0.77 KIF11 (0.39) SLC1A3SLC1A2SLC1A1KIF11POLB
SCHEMBL27581984 0.76 CES2 (0.41) SLC1A3SLC1A2SLC1A1POLBLMNA
SCHEMBL28315912 0.75 ALOX5 (0.44) SLC1A3SLC1A2SLC1A1POLBLMNA
SCHEMBL10585975 0.74 TAS1R3 (0.39) POLBLMNATP53THRBNPSR1
Hydrochloric Acid SCHEMBL28315464 0.74 ALOX5 (0.43) SLC1A3SLC1A2SLC1A1POLBLMNA
SCHEMBL27950897 0.74 HPGD (0.46) POLBLMNATP53CYP2C19KMT2A
SCHEMBL6429526 0.72 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1KIF11POLB
SCHEMBL27950901 0.71 TSHR (0.36) LMNACYP2C19ALOX5SLC7A5CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409917-A Topical treatment of acne with cephalosporins Towsend, Marvin S. (US) 1995-04-25 US disclosed
US-5260292-A Topical treatment of acne with aminopenicillins Towsend, Marvin S. (US) 1993-11-09 US disclosed