SCHEMBL9735799

SCHEMBL9735799

CCCCCCCCC=CCCCCCCCC(=O)n1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
F7 P08709 4/20 0.49
F3 P13726 4/20 0.49
PPARG P37231 4/20 0.49
PPARD Q03181 4/20 0.49
PPARA Q07869 4/20 0.49
KDM4E B2RXH2 3/20 0.49
FABP4 P15090 3/20 0.49
HSD17B10 Q99714 3/20 0.49
DUSP3 P51452 2/20 0.49
PTPN7 P35236 2/20 0.49
LMNA P02545 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP19A1 P11511 2/20 0.49
ALOX15 P16050 2/20 0.49
PTGS1 P23219 2/20 0.49
NR4A2 P43354 2/20 0.49
SIRT6 Q8N6T7 2/20 0.49
SOAT1 P35610 2/20 0.49
FFAR1 O14842 1/20 0.49

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
SCHEMBL10428746 1.00 ALDH1A1 (0.49) ALDH1A1F7F3PPARGPPARD
SCHEMBL11593812 0.97 ALDH1A1 (0.54) ALDH1A1F7F3PPARGPPARD
SCHEMBL13949151 0.96 PPARG (0.53) ALDH1A1F7F3PPARGPPARD
SCHEMBL5580017 0.91 TBXAS1 (0.47) ALDH1A1PPARGPPARDPPARAFABP4
SCHEMBL5580070 0.91 TBXAS1 (0.47) ALDH1A1PPARGPPARDPPARAFABP4
SCHEMBL3199941 0.91 TBXAS1 (0.47) ALDH1A1PPARGPPARDPPARAFABP4
SCHEMBL2944337 0.91 TBXAS1 (0.47) ALDH1A1PPARGPPARDPPARAFABP4
SCHEMBL5966061 0.89 TBXAS1 (0.44) TDP1FAAHKMT2ATBXA2RMEN1
SCHEMBL13092461 0.89 ALDH1A1 (0.42) ALDH1A1F7F3PPARGPPARD
SCHEMBL13092462 0.89 ALDH1A1 (0.42) ALDH1A1F7F3PPARGPPARD

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
US-5126125-A Decreasing the melanin content in mammalian skin and hair using 5,6-dihydroxindole derivatives YALE UNIVERSITY (US) 1992-06-30 US disclosed
US-4956174-A COSMETICS, TANNING, PIGMENTATION L'OREAL (FR) 1990-09-11 US disclosed
US-4822375-A LIGHTFAST, WEATHER RESISTANT, NATURAL APPEARING HAIR DYES L'OREAL (FR) 1989-04-18 US disclosed
EP-0239826-A1 Skin-tanning compositions containing indole derivatives L'OREAL (FR) 1987-10-07 EP disclosed