SCHEMBL2996579

SCHEMBL2996579

C=Cc1ccc(OC2CCCC3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]45)[C@]32C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
INPP5D Q92835 1/20 0.48
CDC25A P30304 4/20 0.46
POLA1 P09884 1/20 0.45
SRD5A1 P18405 6/20 0.44
SRD5A2 P31213 3/20 0.44
NPC1L1 Q9UHC9 1/20 0.42
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
ABCB1 P08183 1/20 0.41
OSBP P22059 1/20 0.41
RORC P51449 1/20 0.41
OSBP2 Q969R2 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
EFNA1 P20827 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
SCHEMBL5074620 0.88 CYP2D6 (0.45) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL3005021 0.88 CYP2D6 (0.48) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL3003401 0.84 SRD5A1 (0.47) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL15939989 0.84 CYP2D6 (0.53) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL2996581 0.84 CDC25A (0.60) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL9193329 0.83 CYP2D6 (0.46) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL8906580 0.83 CYP2D6 (0.46) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL28358894 0.82 CYP2D6 (0.61) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL4737654 0.81 CYP2D6 (0.60) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL16593742 0.80 CYP2D6 (0.51) CYP2D6CYP2C19INPP5DCDC25APOLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7787085-B2 Optical alignment method and liquid crystal display element JSR CORPORATION (JP) 2010-08-31 US disclosed
US-20080123046-A1 OPTICAL ALIGNMENT METHOD AND LIQUID CRYSTAL DISPLAY ELEMENT JSR CORPORATION (JP) 2008-05-29 US disclosed
US-7074344-B2 Liquid crystal aligning agent and liquid crystal display element JSR CORPORATION (JP) 2006-07-11 US disclosed
US-20050259203-A1 Optical alignment method and liquid crystal display element JSR CORPORATION (JP) 2005-11-24 US disclosed
EP-1353217-A1 Optical alignment method and liquid crystal display element JSR Corporation (JP) 2003-10-15 EP disclosed
US-20030087045-A1 Liquid crystal aligning agent and liquid crystal display element JSR CORPORATION (JP) 2003-05-08 US disclosed
EP-0815598-A1 BIPOLAR ELECTROLUMINESCENT DEVICE The Ohio State University (US) 1998-01-07 EP disclosed
WO-1996029747-A1 BIPOLAR ELECTROLUMINESCENT DEVICE THE OHIO STATE UNIVERSITY (US) 1996-09-26 WO disclosed