SCHEMBL6469388

SCHEMBL6469388

CC(C)Cc1cc(CC(C)C)c(C(=O)P(=O)(CC(C)C)C(=O)c2c(CC(C)C)cc(CC(C)C)cc2CC(C)C)c(CC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
LMNA P02545 5/20 0.34
MEN1 O00255 3/20 0.34
HPGD P15428 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GFER P55789 1/20 0.34
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
CYP2C9 P11712 2/20 0.33
AKR1C3 P42330 2/20 0.33
CXCR1 P25024 2/20 0.33
CXCR2 P25025 2/20 0.33
ALB P02768 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX5 P09917 1/20 0.33
RARB P10826 1/20 0.33
ADRB3 P13945 1/20 0.33
NFKB1 P19838 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
SCHEMBL6466077 0.84 GABRA1 (0.35) GABRA1GABRB2LMNAMEN1HPGD
SCHEMBL6470171 0.82 AKR1C3 (0.33) MEN1KMT2AALDH1A1PTGS2AKR1C3
SCHEMBL6469681 0.78 PTPN1 (0.37) HPGD
SCHEMBL8148872 0.77 GABRA1 (0.50) GABRA1GABRB2LMNAMEN1HPGD
SCHEMBL6465353 0.76 NPC1 (0.37) GABRA1GABRB2HPGDALDH1A1PTGS2
SCHEMBL6470429 0.73 GABRA1 (0.39) GABRA1GABRB2HPGDKMT2AALDH1A1
SCHEMBL275128 0.71 KMT2A (0.38) LMNAMEN1HPGDKMT2AALDH1A1
SCHEMBL6468614 0.69 FABP3 (0.53) GABRA1GABRB2KMT2A
SCHEMBL5994972 0.68 KMT2A (0.37) GABRA1GABRB2LMNAMEN1HPGD
SCHEMBL6465877 0.68 L3MBTL1 (0.39) LMNAMEN1KMT2AALDH1A1CYP2C9

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-20050096406-A1 Reactive diluents and alkyd resin coating compositions PRETOT ROGER (CH) 2005-05-05 US disclosed
US-5534559-A UNSATURATED POLYESTERS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed