SCHEMBL4955880

SCHEMBL4955880

C(OCC1CO1)C1CO1.C=CCc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
TSHR P16473 6/20 0.42
CYP3A4 P08684 4/20 0.42
TP53 P04637 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
GLA P06280 1/20 0.38
CNR2 P34972 1/20 0.38
MAPK1 P28482 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
MAPT P10636 3/20 0.35
CYP1A2 P05177 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 2/20 0.33
HIF1A Q16665 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL28681163 0.87 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TP53SMN1; SMN2
Chavicol SCHEMBL6121991 0.84 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4TP53SMN1; SMN2
Allylbenzene SCHEMBL1358355 0.84 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TP53SMN1; SMN2
SCHEMBL2323482 0.84 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TP53SMN1; SMN2
P-Xylene SCHEMBL11836467 0.83 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TP53SMN1; SMN2
SCHEMBL10734935 0.82 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4TP53SMN1; SMN2
SCHEMBL1099899 0.81 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4TP53SMN1; SMN2
SCHEMBL9234674 0.78 AGXT (0.44) ALDH1A1TSHRCYP3A4TP53SMN1; SMN2
Hydroxychavicol SCHEMBL29137892 0.78 XDH (0.63) ALDH1A1CYP3A4CNR2PPARGPPARD
SCHEMBL251706 0.78 TDP1 (0.56) ALDH1A1TSHRCYP3A4TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108369376-B Photosensitive resin composition, cured film, laminate, member for touch panel, and method for producing cured film 东丽株式会社 2022-05-03 CN disclosed
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