SCHEMBL7871095

SCHEMBL7871095

CCCCC(NCCc1ccccc1)c1ccc(C(=O)OC)c(-c2ccccc2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
HAT1 O14929 2/20 0.36
EP300 Q09472 2/20 0.36
CTSK P43235 2/20 0.36
HTR6 P50406 1/20 0.36
PPARG P37231 3/20 0.36
PTGES O14684 2/20 0.36
ALOX5 P09917 2/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2D6 P10635 1/20 0.35
FAAH O00519 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 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
SCHEMBL7869068 0.91 ADRB1 (0.38) LTB4R2SMN1; SMN2PPARGHPGDNPC1
SCHEMBL7867498 0.83 LTB4R2 (0.36) LTB4R2SMN1; SMN2MEN1KMT2AHAT1
SCHEMBL7869176 0.76 FNTA (0.53)
SCHEMBL7871098 0.74 FNTA (0.49) LTB4R2SMN1; SMN2
SCHEMBL7921364 0.74 SLC6A4 (0.35) LTB4R2FAAH
P-Toluenesulfonamide SCHEMBL7870349 0.74 FNTA (0.50)
SCHEMBL7867462 0.73 FNTA (0.39)
SCHEMBL7867499 0.73 BMP1 (0.47) LTB4R2NPSR1
SCHEMBL7869050 0.72 CYP1A2 (0.41) NPSR1MEN1KMT2AHPGDCYP1A2
SCHEMBL6627724 0.72 HTR1A (0.51) LTB4R2HTR6

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-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed