SCHEMBL11546115

SCHEMBL11546115

Oc1ccc(O)c(CC2CO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.42
CYP3A4 P08684 2/20 0.39
TYR P14679 6/20 0.39
LCK P06239 2/20 0.36
PTPN1 P18031 2/20 0.34
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
RGS12 O14924 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
CKS1B P61024 1/20 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
SCHEMBL28852089 0.86 TYR (0.40) EGFRCYP3A4TYRALOX5ALDH1A1
SCHEMBL3162057 0.81 ACHE (0.47) CYP3A4PTPN1ALOX5ALDH1A1MAPT
SCHEMBL4347657 0.80 KLF10 (0.51) CYP3A4ALDH1A1MAPTTP53CYP1A2
SCHEMBL1550011 0.78 CA12 (0.38) CYP3A4TYRALOX5ALDH1A1TP53
SCHEMBL14973391 0.78 CYP2D6 (0.53) CYP3A4ALDH1A1MAPTTDP1TP53
SCHEMBL18056776 0.78 KLF10 (0.57) CYP3A4ALDH1A1MAPTTDP1TP53
SCHEMBL8991531 0.78 ALDH1A1 (0.46) EGFRLCKPTPN1ALOX5ALDH1A1
SCHEMBL414280 0.76 INSR (0.35) EGFRLCKALDH1A1MAPTTDP1
SCHEMBL10920722 0.76 TYR (0.32) CYP3A4TYR
SCHEMBL11625447 0.76 ESR2 (0.49) ALOX5ALDH1A1

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-110366587-A Active energy ray-curable adhesive composition for plastic film or sheet 东亚合成株式会社 2019-10-22 CN disclosed
CN-107406740-A For plastics film or the active energy ray curable adhesive compound of piece 东亚合成株式会社 2017-11-28 CN disclosed
US-4144283-A REACTION PRODUCT OF A POLYFUNCTIONAL PHENOL, ALKYLENE OXIDE, AND AN ACRYLIC ACID TOYO INK MANUFACTURING CO., LTD. (JP) 1979-03-13 US disclosed
US-4001153-A Unsaturated polyester resin composition TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-01-04 US disclosed