SCHEMBL9622174

SCHEMBL9622174

CC(C)c1ccc(C(=O)c2ccc3c(C(=O)O)cccc3c2)c(C(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.56
ACE2 Q9BYF1 2/20 0.48
CDC25B P30305 4/20 0.41
CDC25A P30304 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
SORT1 Q99523 1/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
DHODH Q02127 1/20 0.38
AKR1B1 P15121 1/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL21880321 0.83 PTPN1 (0.60) PTPN1ACE2CDC25BHSD17B10NR4A1
SCHEMBL6370424 0.82 ACE2 (0.48) ACE2RXRARXRBRXRGFABP3
SCHEMBL9622332 0.81 FABP3 (0.41) ACE2CDC25BCDC25AHSD17B10RXRA
SCHEMBL8458838 0.79 RXRA (0.56) ACE2RXRARXRBRXRGALDH1A1
SCHEMBL6560220 0.77 FABP3 (0.50) ACE2CDC25BCDC25AHSD17B10SORT1
SCHEMBL28355059 0.77 BCL2 (0.58) HSD17B10RXRAALDH1A1FABP3FABP4
SCHEMBL3307626 0.75 FABP3 (0.57) ACE2HSD17B10RXRARXRBRXRG
SCHEMBL29404396 0.73 PTPN1 (1.00) PTPN1ACE2CDC25BHSD17B10NR4A1
SCHEMBL27904823 0.73 FABP3 (0.55) ACE2HSD17B10RXRARXRBRXRG
SCHEMBL70015 0.73 PTPN1 (1.00) PTPN1ACE2CDC25BHSD17B10NR4A1

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