SCHEMBL920199

SCHEMBL920199

CC(OCC12CC3CC(CC(C3)C1)C2)Oc1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccc(OC(C)OCC67CC8CC(CC(C8)C6)C7)cc5)cc4)c3-c3ccc(-c4ccc(OC(C)OCC56CC7CC(CC(C7)C5)C6)cc4)cc3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
DHFR P00374 1/20 0.31
SCN9A Q15858 1/20 0.31
PPARG P37231 4/20 0.30
PPARA Q07869 4/20 0.30
P2RX3 P56373 1/20 0.30
P2RX7 Q99572 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
SCHEMBL918694 0.88 MEN1 (0.35) BRD4CREBBPPPARG
SCHEMBL20333367 0.77 MEN1 (0.36) SCN9APPARGPPARAP2RX7
SCHEMBL684988 0.75 SCN9A (0.34) SCN9A
SCHEMBL10182512 0.75 ALDH1A1 (0.37) SCN9A
SCHEMBL25858572 0.74 MEN1 (0.34) SCN9AP2RX7
SCHEMBL686108 0.74 CNR2 (0.36) SCN9AP2RX7
SCHEMBL918692 0.71 CNR2 (0.34)
SCHEMBL25686020 0.71 SCN9A (0.32) SCN9A
SCHEMBL920198 0.70 CYP2C9 (0.34)
SCHEMBL19333726 0.69 SCN9A (0.31) SCN9A

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-7871755-B2 Photosensitive composition KABUSHIKI KAISHA TOSHIBA (JP) 2011-01-18 US disclosed
US-20090081582-A1 irradiating a predetermined region of photosensitive layer, subjecting the photosensitive layer after baking to development treatment with an alkali aqueous solution to selectively remove the light-exposed part; has a photo-acid generator which generates an acid by the action of actinic radiation KABUSHIKI KAISHA TOSHIBA 2009-03-26 US disclosed