SCHEMBL6201688

SCHEMBL6201688

COC(=O)c1cc(OC(C)=O)c2ccccc2c1-c1ccc2oc3ccccc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
TNKS O95271 1/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
ATM Q13315 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL1334088 0.84 DHODH (0.53) HSD17B10TSHRNPC1RAB9AKDM4E
SCHEMBL9899201 0.82 NR4A2 (0.46) HSD17B10TSHRKDM4EALDH1A1HPGD
SCHEMBL1009498 0.82 TSHR (0.48) HSD17B10TSHRKDM4EALDH1A1HPGD
SCHEMBL6131949 0.81 KDM4E (0.49) HSD17B10TSHRNPC1RAB9AKDM4E
SCHEMBL6200456 0.81 HSD17B10 (0.42) HSD17B10NPC1RAB9ATNKSKDM4E
SCHEMBL3137352 0.80 SLC6A3 (0.49) HSD17B10TSHRRAB9AKDM4EALDH1A1
SCHEMBL9899016 0.78 NR4A2 (0.50) HSD17B10TSHRKDM4EALDH1A1HPGD
SCHEMBL1010947 0.77 DHODH (0.48) HSD17B10TSHRKDM4EALDH1A1HPGD
SCHEMBL1011786 0.74 DHODH (0.45) HSD17B10TSHRKDM4EALDH1A1HPGD
SCHEMBL3242562 0.74 HSD17B10 (0.49) HSD17B10TSHRNPC1RAB9ATNKS

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
EP-0958514-B1 NOVEL PHOTOCHROMIC HETEROCYCLIC FUSED INDENONAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-01-26 EP disclosed
EP-0958514-A4 NOVEL PHOTOCHROMIC HETEROCYCLIC FUSED INDENONAPHTHOPYRANS PPG IND OHIO INC (US) 2000-03-22 EP disclosed
EP-0958514-A1 NOVEL PHOTOCHROMIC HETEROCYCLIC FUSED INDENONAPHTHOPYRANS PPG Industries Ohio, Inc. (US) 1999-11-24 EP disclosed
WO-1998032037-A1 NOVEL PHOTOCHROMIC HETEROCYCLIC FUSED INDENONAPHTHOPYRANS PPG INDUSTRIES OHIO, INC. (US) 1998-07-23 WO disclosed
US-5698141-A REVERSE CHARGE IN COLOR WHEN EXPOSURED TO ELECTROMAGNETIC RADIATION PPG INDUSTRIES, INC. (US) 1997-12-16 US disclosed