SCHEMBL8106419

SCHEMBL8106419

CC(=O)NCC(=O)N(c1ccc(C(=O)OCc2ccccc2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
RXRA P19793 7/20 0.43
RXRB P28702 6/20 0.43
RXRG P48443 5/20 0.43
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
CYP26B1 Q9NR63 1/20 0.40
RARA P10276 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 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
SCHEMBL8102771 0.86 ALDH1A1 (0.51) MAPTALDH1A1HPGDRXRARXRB
SCHEMBL8100639 0.85 RXRA (0.59) ALDH1A1RXRARXRBRXRGRAB9A
SCHEMBL8839024 0.78 KMT2A (0.56) MAPTALDH1A1HPGDRXRARXRB
SCHEMBL8555837 0.77 RXRA (0.46) RXRARXRBRXRGRARBRARG
SCHEMBL9551719 0.74 RARB (0.54) MAPTALDH1A1HPGDRXRARXRB
SCHEMBL8102485 0.74 RXRA (0.64) ALDH1A1RXRARXRBRXRGKMT2A
SCHEMBL8839111 0.73 KMT2A (0.52) MAPTALDH1A1HPGDRXRARXRB
SCHEMBL7086120 0.73 RARG (0.67) ALDH1A1RXRARXRBRXRGRAB9A
SCHEMBL7086116 0.73 RARG (0.67) ALDH1A1RXRARXRBRXRGRAB9A
SCHEMBL6144299 0.72 ALDH1A1 (0.45) MAPTALDH1A1HPGDRXRARXRB

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-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