SCHEMBL8430424

SCHEMBL8430424

O=C(O)/C(=C\c1cccc(CSc2c(Cl)cccc2Cl)n1)OCCc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.40
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
IL1B P01584 1/20 0.33
P2RX7 Q99572 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL8430426 1.00 LTB4R (0.40) LTB4RHPGDMAPTTDP1CYP1A2
SCHEMBL8432444 0.85 LTB4R (0.54) LTB4RTERT
SCHEMBL8434175 0.84 LTB4R (0.43) LTB4RTERT
SCHEMBL8434172 0.84 LTB4R (0.43) LTB4RTERT
SCHEMBL8430558 0.84 LTB4R (0.55) LTB4RTDP1CYP1A2CYP2D6CYP2C19
SCHEMBL8432882 0.82 LTB4R (0.57) LTB4RMAPTKDM4ETERT
SCHEMBL8434470 0.82 LTB4R (0.56) LTB4RRECQLNPC1TERT
SCHEMBL8430525 0.81 LTB4R (0.53) LTB4R
SCHEMBL8434253 0.81 LTB4R (0.58) LTB4RMAPTNPC1TERT
SCHEMBL8434502 0.78 LTB4R (0.53) LTB4R

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-5929096-A TREATING DISEASES ATTRIBUTING THEIR ORIGIN OR AFFECT TO LEUKOTRIENES, ANTIALLERGENS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US disclosed