SCHEMBL9622332

SCHEMBL9622332

Cc1ccc2cc(C(=O)c3ccc(C(C)C)cc3C(C)C)ccc2c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
ACE2 Q9BYF1 2/20 0.40
ALDH1A1 P00352 1/20 0.39
RXRA P19793 2/20 0.36
EIF4A3 P38919 2/20 0.35
GRM1 Q13255 2/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SORT1 Q99523 1/20 0.34
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
DHODH Q02127 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL6370424 0.82 ACE2 (0.48) FABP3FABP4ACE2RXRAEIF4A3
SCHEMBL9622174 0.81 PTPN1 (0.56) FABP3FABP4ACE2ALDH1A1RXRA
SCHEMBL8458838 0.77 RXRA (0.56) FABP3FABP4ACE2ALDH1A1RXRA
SCHEMBL28065832 0.76 EIF4A3 (0.42) FABP3FABP4EIF4A3DHODHPDE10A
SCHEMBL11591905 0.75 PTPN1 (0.50) ALDH1A1GRM1HSD17B10MEN1CYP1A2
SCHEMBL8707349 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10MEN1CYP1A2KMT2A
SCHEMBL23909524 0.74 ALDH1A1 (0.41) ALDH1A1GRM1HSD17B10MEN1CYP1A2
SCHEMBL8211200 0.74 FABP3 (0.51) FABP3FABP4ACE2ALDH1A1EIF4A3
SCHEMBL28355059 0.72 BCL2 (0.58) FABP3FABP4ALDH1A1RXRAHSD17B10
SCHEMBL29386062 0.72 FABP3 (0.48) FABP3FABP4ACE2ALDH1A1EIF4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023363-A Antiinflammatory agent, antiallergens, skin disorders, vision defects L'OREAL (FR) 1991-06-11 US claimed
US-5093516-A AROMATIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND VETERINARY MEDICINE AND FOR COSMETIC COMPOSITIONS L'OREAL (FR) 1992-03-03 US disclosed
US-5023363-A Antiinflammatory agent, antiallergens, skin disorders, vision defects L'OREAL (FR) 1991-06-11 US disclosed