SCHEMBL11111407

SCHEMBL11111407

COc1ccc(CCC(N)C(O)c2cccc(O)c2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.52
CALM1 P0DP23 1/20 0.50
ADRB1 P08588 2/20 0.47
MIF P14174 1/20 0.47
HTR2A P28223 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
ADRB2 P07550 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC22A1 O15245 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRM1 P35372 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL10693648 0.86 ADRB2 (0.57) STAT3ADRB1ADRB2ALDH1A1LMNA
SCHEMBL1098076 0.85 STAT3 (0.57) STAT3CALM1ADRB1ADRA1AADRB2
SCHEMBL22510018 0.85 STAT3 (0.57) STAT3CALM1ADRB1ADRA1AADRB2
SCHEMBL21643363 0.85 STAT3 (0.57) STAT3CALM1ADRB1ADRA1AADRB2
SCHEMBL29803055 0.85 STAT3 (0.57) STAT3CALM1ADRB1ADRA1AADRB2
SCHEMBL10695551 0.78 PDE4A (0.48) STAT3ADRB2ALDH1A1LMNACYP3A4
Hydrochloric Acid SCHEMBL10695075 0.78 PDE4A (0.48) STAT3ADRB2ALDH1A1LMNACYP3A4
SCHEMBL27673600 0.75 STAT3 (0.71) STAT3ADRB2CYP3A4KDM4EATM
SCHEMBL25287579 0.75 STAT3 (0.61) STAT3ADRB1ADRB2ALDH1A1LMNA
SCHEMBL25287578 0.75 STAT3 (0.61) STAT3ADRB1ADRB2ALDH1A1LMNA

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
JP-52095620-A None JP disclosed
EP-0106335-A2 Pharmaceutical composition and a method for enhancing the absorption of a pharmaceutically active compound Tanabe Seiyaku Co., Ltd. (JP) 1984-04-25 EP disclosed
JP-S5295620-A BENZEL ALCOHOL DERIVATIVES TANABE SEIYAKU CO LTD 1977-08-11 JP disclosed