SCHEMBL4955872

SCHEMBL4955872

C=CCc1ccc(CC(OC(Cc2ccc(CC=C)cc2)C2CO2)C2CO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 1/20 0.33
XDH P47989 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH2 P05091 1/20 0.32
GABRA1 P14867 1/20 0.32
AKR1B1 P15121 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
SCHEMBL1099896 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5922911 0.79 ALDH1A1 (0.37) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL9232952 0.78 SLC18A3 (0.35) MAPTPPARGPPARA
SCHEMBL9234671 0.78 AGXT (0.34) ALDH1A1SMN1; SMN2ALOX12CYP1A2PPARG
SCHEMBL289970 0.78 EPHX1 (0.39) CYP3A4TSHRCYP1A2MEN1KMT2A
SCHEMBL334898 0.78 EPHX1 (0.39) CYP3A4TSHRCYP1A2MEN1KMT2A
SCHEMBL289969 0.78 EPHX1 (0.39) CYP3A4TSHRCYP1A2MEN1KMT2A
SCHEMBL10586992 0.77 ALDH1A1 (0.40) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL9234577 0.75 SLC6A4 (0.47) ALDH1A1ALOX15MAPTCYP1A2KDM4E
SCHEMBL9236044 0.74 LOXL2 (0.39)

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
US-20080206647-A1 Ethylene oxide copolymer, polymer composition, and lithium secondary battery NIPPON SHOKUBAI CO., LTD. 2008-08-28 US disclosed
US-20050245410-A1 Water soluble nonionic alkylene oxide resin, and production process therefor DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2005-11-03 US disclosed
EP-1568728-A2 Water soluble non-ionic alkylene oxide resin and production process therefor Dai-Ichi Kogyo Seiyaku Co., Ltd. (JP) 2005-08-31 EP disclosed