Sugi Predict

Sugi Predict / Compounds / SCHEMBL3280564

SCHEMBL3280564

SCHEMBL3280564

C#C/C=C(\CC)c1cccc(OCc2ccc(COC(=O)c3ccccc3)c(COC(=O)c3ccccc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 2/20 0.47
▸ MAOB P27338 12/20 0.46
▸ NR4A2 P43354 5/20 0.43
▸ MAOA P21397 5/20 0.42
▸ NR4A1 P22736 1/20 0.40
▸ NR4A3 Q92570 1/20 0.40
▸ SMPD1 P17405 1/20 0.40

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
SCHEMBL3280570 1.00 VDR (0.47) VDRMAOBNR4A2MAOANR4A1
SCHEMBL3280573 1.00 VDR (0.47) VDRMAOBNR4A2MAOANR4A1
SCHEMBL4551473 0.92 VDR (0.43) VDRMAOBNR4A2MAOANR4A1
SCHEMBL4551470 0.92 VDR (0.43) VDRMAOBNR4A2MAOANR4A1
SCHEMBL3280271 0.81 VDR (0.48) VDRMAOBNR4A2MAOANR4A1
SCHEMBL6887724 0.78 MRGPRX4 (0.53) MAOBNR4A2SMPD1
SCHEMBL6883961 0.77 MRGPRX4 (0.55) MAOBNR4A2SMPD1
SCHEMBL6566359 0.76 MRGPRX4 (0.66) MAOBNR4A2NR4A1NR4A3SMPD1
SCHEMBL6882555 0.75 MRGPRX4 (0.55) MAOBNR4A2SMPD1
SCHEMBL6566172 0.74 MRGPRX4 (0.63) NR4A2SMPD1

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-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 — — US disclosed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 — — US disclosed