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SCHEMBL13660286

SCHEMBL13660286

CCC(C)(C)Oc1ccc(Oc2ccc(OC(=O)c3ccc(C(=O)C(C)(CC)C(C)(CC)Oc4ccc(C(C)c5ccc(OC(=O)c6ccc(C(=O)C(C)(C)CC)cc6)c(C)c5)cc4C)cc3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 1/20 0.32
▸ PRSS1 P07477 1/20 0.31
▸ ACR P10323 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ PPARD Q03181 1/20 0.30
▸ PPARA Q07869 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
SCHEMBL21164234 0.91 OPRK1 (0.33) VDRPPARGPPARDPPARA
SCHEMBL12472655 0.91 OPRK1 (0.32) VDRPRSS1ACRPPARGPPARD
SCHEMBL15499183 0.90 TAS1R3 (0.33) VDRTP53GAATHRBPPARG
SCHEMBL12942547 0.90 VDR (0.32) VDRPRSS1ACRTP53GAA
SCHEMBL22267438 0.86 VDR (0.32) VDRTP53GAATHRBPPARG
SCHEMBL13191290 0.85 TAS1R3 (0.33) VDRTP53GAATHRBPPARG
SCHEMBL19139144 0.85 TAS1R3 (0.33) VDRTP53GAATHRBPPARG
SCHEMBL18685682 0.84 VDR (0.30) VDR
SCHEMBL13660382 0.84 ELANE (0.33) VDRTP53GAATHRBPPARG
SCHEMBL16681642 0.84 ELANE (0.35) VDRTP53GAATHRBPPARG

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-7604913-B2 Electrophotographic photosensitive body MITSUBISHI CHEMICAL CORPORATION (JP) 2009-10-20 — — US disclosed
US-20080063963-A1 Electrophotographic Photosensitive Body MITSUBISHI CHEMICAL CORPORATION (JP) 2008-03-13 — — US disclosed