SCHEMBL10463907

SCHEMBL10463907

CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)C)ccc2O)c(O)c(Cc2cc(C(C)(C)C)cc(C(=O)O)c2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PGR P06401 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ AR P10275 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ PDE4A P27815 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48

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
SCHEMBL10464426 0.90 CYP3A4 (0.50) CYP3A4MEN1KMT2AUSP2ESR1
SCHEMBL10519864 0.86 HSD17B10 (0.50) CYP3A4MEN1KMT2AUSP2ESR1
SCHEMBL10463908 0.84 ESR1 (0.41) ESR1CYP2D6TDP1HSP90AA1HSP90AB1
SCHEMBL10463840 0.83 HIF1A (0.44) CYP3A4MEN1KMT2AUSP2ESR1
SCHEMBL16656147 0.82 CYP3A4 (0.66) CYP3A4MEN1KMT2AUSP2ESR1
SCHEMBL3821963 0.79 CYP2D6 (0.59) CYP3A4MEN1KMT2AUSP2ESR1
SCHEMBL1345705 0.79 CYP2D6 (0.59) CYP3A4MEN1KMT2AUSP2ESR1
SCHEMBL3810884 0.79 CYP2D6 (0.59) CYP3A4MEN1KMT2AUSP2ESR1
SCHEMBL3819212 0.79 CYP2D6 (0.59) CYP3A4MEN1KMT2AUSP2ESR1
SCHEMBL1345527 0.79 CYP2D6 (0.59) CYP3A4MEN1KMT2AUSP2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920091-A CONTAINING SALICYLIC ACID DERIVATIVE AS ELECTRON ACCEPTING COLOR DEVELOPER; STABLE IMAGES FUJI PHOTO FILM CO., LTD. (JP) 1990-04-24 — — US disclosed
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