SCHEMBL5855876

SCHEMBL5855876

C=CCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MMP3 P08254 6/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
POLB P06746 2/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL10581417 1.00 MMP2 (0.48) MMP2MAPTALDH1A1MMP3MMP1
SCHEMBL2364296 0.96 MAPT (0.49) MAPTALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL2831629 0.96 MAPT (0.49) MAPTALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL6394837 0.90 ALDH1A1 (0.51) MAPTALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL9650787 0.88 POLB (0.46) MMP2MAPTALDH1A1MMP3MMP1
SCHEMBL18777291 0.86 ALDH1A1 (0.56) MMP2MAPTALDH1A1MMP3MMP1
SCHEMBL7619158 0.86 NPC1 (0.52) MAPTALDH1A1POLBADRB2ADRB1
SCHEMBL8026374 0.86 NPC1 (0.52) MAPTALDH1A1POLBADRB2ADRB1
SCHEMBL11786917 0.86 F2 (0.47) MMP2MAPTALDH1A1MMP3MMP1
SCHEMBL8825667 0.85 BACE1 (0.52) MAPTLMNAPOLBADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001648-B2 Glassy chiral-nematic liquid crystals and optical devices containing same UNIVERSITY OF ROCHESTER (US) 2006-02-21 US claimed
US-20050263741-A1 GLASSY CHIRAL-NEMATIC LIQUID CRYSTALS AND OPTICAL DEVICES CONTAINING SAME NATIONAL SCIENCE FOUNDATION 2005-12-01 US claimed
WO-2004083335-A2 GLASSY CHIRAL-NEMATIC LIQUID CRYSTALS AND OPTICAL DEVICES CONTAINING SAME UNIVERSITY OF ROCHESTER (US) 2004-09-30 WO claimed
WO-2019037613-A1 A METHOD FOR PREPARING MONODISPERSED POLYMER MICROPARTICLES SMART LIQUID CRYSTAL TECHNOLOGIES CO., LTD. (CN) 2019-02-28 WO disclosed
US-7396486-B2 Polymerizable mixtures WACKER CHEMIE AG (DE) 2008-07-08 US disclosed
US-7396486-B2 Polymerizable mixtures WACKER CHEMIE AG (DE) 2008-07-08 US disclosed
US-7001648-B2 Glassy chiral-nematic liquid crystals and optical devices containing same UNIVERSITY OF ROCHESTER (US) 2006-02-21 US disclosed
US-20050263741-A1 GLASSY CHIRAL-NEMATIC LIQUID CRYSTALS AND OPTICAL DEVICES CONTAINING SAME NATIONAL SCIENCE FOUNDATION 2005-12-01 US disclosed
WO-2004083335-A2 GLASSY CHIRAL-NEMATIC LIQUID CRYSTALS AND OPTICAL DEVICES CONTAINING SAME UNIVERSITY OF ROCHESTER (US) 2004-09-30 WO disclosed