SCHEMBL9534495

SCHEMBL9534495

CCOC(=O)CC(=O)CCc1ccco1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TSHR P16473 4/20 0.46
HSD17B10 Q99714 4/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 3/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SLC26A6 Q9BXS9 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL14783064 0.88 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10MAPTPOLB
SCHEMBL64663 0.88 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10MAPTPOLB
SCHEMBL20351618 0.85 ALDH1A1 (0.49) ALDH1A1TSHRHSD17B10MAPTPOLB
SCHEMBL6641439 0.81 CYP4F2 (0.55) ALDH1A1TSHRHSD17B10MAPTPOLB
SCHEMBL17016715 0.80 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10MAPTPOLB
SCHEMBL12530216 0.79 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPTPOLBHPGD
SCHEMBL11011624 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPTPOLBUSP2
SCHEMBL5883913 0.78 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10MAPTPOLB
SCHEMBL27581979 0.78 MMP12 (0.49) ALDH1A1TSHRHSD17B10MAPTPOLB
SCHEMBL1645027 0.78 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241043-B1 NOVEL DIARYLALKANOIDS HAVING ACTIVITY AS LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-09-01 EP disclosed
US-5177259-A Diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
US-5077411-A Antiallergens, antiinflammatory agents; cardiovascular disorders, migraines, psoriasis WARNER-LAMBERT CO. (US) 1991-12-31 US disclosed
US-4959503-A Diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1990-09-25 US disclosed