SCHEMBL8102670

SCHEMBL8102670

CCCn1cc(N)cc1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
TLR8 Q9NR97 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 2/20 0.36
TYR P14679 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRK6 P43250 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR4A2 P43354 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL369006 0.87 NR4A2 (0.42) KDM4ETLR8ALDH1A1MAPTHPGD
SCHEMBL8688601 0.84 KDM4E (0.38) KDM4ETLR8ALDH1A1MAPTHPGD
SCHEMBL782124 0.81 L3MBTL1 (0.41) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL20562649 0.81 KDM4E (0.38) KDM4EALDH1A1MAPTHPGDCA12
SCHEMBL2215169 0.78 CYP1A2 (0.46) KDM4EALDH1A1MAPTHPGDGAA
Hydrochloric Acid SCHEMBL653317 0.76 CYP1A2 (0.44) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL8100794 0.76 MAPT (0.42) ALDH1A1MAPTGAATSHRMEN1
SCHEMBL26379919 0.75 DUT (0.44) TLR8CA12CA1CA2CA9
SCHEMBL27701384 0.74 TLR8 (0.52) KDM4ETLR8ALDH1A1MAPTGRK6
SCHEMBL28772792 0.73 TLR8 (0.51) KDM4ETLR8ALDH1A1MAPTGRK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051243-A USEFUL IN THE TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL CONDITIONS ASSOCIATED WITH A KERATINIZATION DISORDER, DERMATOLOGICAL CONDITIONS (AND THE LIKE) INCLUDING AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-04-18 US disclosed
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US disclosed