SCHEMBL13513166

SCHEMBL13513166

COCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CO)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.74
▸ HTT P42858 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ KMT2A Q03164 2/20 0.49
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MAPT P10636 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ VDR P11473 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12570312 0.94 AR (0.82) ARHTTHIF1AKMT2ATSHR
SCHEMBL12267323 0.94 HTT (0.65) ARHTTHIF1AKMT2AMAPT
SCHEMBL10962758 0.94 HTT (0.65) ARHTTHIF1AKMT2AMAPT
SCHEMBL12363856 0.92 AR (0.85) ARHTTHIF1AKMT2ATSHR
SCHEMBL868711 0.92 AR (0.85) ARHTTHIF1AKMT2ATSHR
SCHEMBL12314721 0.88 AR (0.58) ARHTTHIF1AKMT2ATSHR
SCHEMBL16004370 0.88 AR (0.58) ARHTTHIF1AKMT2AMAPT
SCHEMBL12135524 0.88 HTT (0.58) ARHTTHIF1AKMT2ATSHR
SCHEMBL12267193 0.88 HTT (0.58) ARHTTHIF1AKMT2AMAPT
SCHEMBL12726584 0.88 HTT (0.58) ARHTTHIF1AKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017132463-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 — — WO disclosed
WO-2017132484-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 — — WO disclosed
WO-2010000066-A1 DIGLYCIDIC ETHER DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2010-01-07 — — WO disclosed
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