SCHEMBL6470171

SCHEMBL6470171

CCc1cc(CC)c(C(=O)P(=O)(CC(C)C)C(=O)c2c(CC)cc(CC)cc2CC)c(CC)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PTGS2 P35354 1/20 0.31
POLB P06746 1/20 0.30
RAB9A P51151 2/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
HSPA5 P11021 1/20 0.30
HSD17B10 Q99714 1/20 0.30
BCL2L1 Q07817 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL6470429 0.85 GABRA1 (0.39) GAAKMT2APOLBHSD17B10ALDH1A1
SCHEMBL6469681 0.83 PTPN1 (0.37) RAB9A
SCHEMBL6465884 0.82 MEN1 (0.36) AKR1C3AKR1C2GAAKMT2AMEN1
SCHEMBL6465505 0.82 HSPA5 (0.32) HSPA5
SCHEMBL6469388 0.82 GABRA1 (0.41) AKR1C3AKR1C2KMT2AMEN1PTGS2
SCHEMBL6465353 0.80 NPC1 (0.37) PTGS2RAB9AHSD17B10NPC1ALDH1A1
SCHEMBL6469298 0.79 PTGS2 (0.36) AKR1C3AKR1C2GAAKMT2AMEN1
SCHEMBL6470378 0.79 MEN1 (0.34) GAAKMT2AMEN1POLBRXRA
SCHEMBL5995009 0.78 ITGB1 (0.36) GAAKMT2AMEN1PTGS2POLB
SCHEMBL6466068 0.78 TSHR (0.39) POLBHSD17B10BCL2L1ALDH1A1SMN1; SMN2

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