SCHEMBL9130354

SCHEMBL9130354

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CTSC P53634 1/20 0.37
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
KDM4E B2RXH2 1/20 0.36
GLA P06280 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) KIF11POLBLMNATP53THRB
SCHEMBL14334652 0.77 POLB (0.43) KIF11POLBCYP2C19SLC1A3SLC1A2
SCHEMBL9130364 0.77 SLC1A3 (0.40) KIF11POLBLMNATP53THRB
SCHEMBL11314837 0.76 FFAR1 (0.46) POLBLMNATP53THRBNPSR1
SCHEMBL142885 0.74 TAS1R3 (0.36) POLBLMNATP53THRBNPSR1
SCHEMBL141982 0.72 HTT (0.40) LMNAALOX5KDM4EGLAHTT
SCHEMBL11169009 0.71 HTT (0.36) LMNAALOX5SLC7A5KDM4EGLA
SCHEMBL144586 0.71 ALOX5 (0.38) LMNATP53NPSR1CYP2C19ALOX5
SCHEMBL7771356 0.71 ALOX5 (0.45) POLBLMNATP53THRBNPSR1
SCHEMBL9584558 0.70 CYP2C19 (0.56) KIF11POLBCYP2C19SLC1A3SLC1A2

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 5 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
EP-0536360-A4 TOPICAL TREATMENT OF ACNE 1993-08-04 EP disclosed
EP-0536360-A1 TOPICAL TREATMENT OF ACNE BLOOM, Leonard (US) 1993-04-14 EP disclosed
WO-1992015299-A1 TOPICAL TREATMENT OF ACNE BLOOM, LEONARD (US) 1992-09-17 WO disclosed