SCHEMBL7064929

SCHEMBL7064929

CCC[C@H]1CC[C@H](C(C(=O)O)C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
CYP2C9 P11712 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
TLR4 O00206 1/20 0.34
KMT2A Q03164 2/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7064931 1.00 MAPT (0.40) MAPTCYP2C9TP53ALDH1A1LMNA
SCHEMBL21500404 0.89 MAPT (0.35) MAPTCYP2C9TP53ALDH1A1LMNA
SCHEMBL7866811 0.81 CYP2C9 (0.41) MAPTCYP2C9TP53ALDH1A1LMNA
SCHEMBL10073273 0.81 CYP2C9 (0.41) MAPTCYP2C9TP53ALDH1A1LMNA
Bicarbonate SCHEMBL9367749 0.80 CYP2C9 (0.47) MAPTCYP2C9TP53ALDH1A1LMNA
SCHEMBL6838714 0.79 L3MBTL1 (0.50) MAPTCYP2C9TP53ALDH1A1LMNA
SCHEMBL10355262 0.79 L3MBTL1 (0.50) MAPTCYP2C9TP53ALDH1A1LMNA
SCHEMBL1645240 0.78 CPN1 (0.33) MAPTTP53ALDH1A1LMNAKMT2A
SCHEMBL5616701 0.78 CPN1 (0.33) MAPTTP53ALDH1A1LMNAKMT2A
Bicarbonate SCHEMBL27361683 0.76 CYP2C9 (0.44) MAPTCYP2C9TP53ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103030625-B Binaphthol chipal compounds and preparation method thereof and application SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-09-16 CN disclosed
EP-1027403-B1 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RES & TECH GMBH & CO (DE) 2003-05-28 EP disclosed
US-6485797-B1 5-Arylindane derivatives and ferroelectric liquid crystal mixture containing same AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2002-11-26 US disclosed
EP-1027403-A2 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME Aventis Research & Technologies GmbH & Co. KG (DE) 2000-08-16 EP disclosed
WO-1999019420-A2 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-22 WO disclosed