SCHEMBL8730455

SCHEMBL8730455

COc1ccc(CC(=O)O)cc1OCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.62
EBP Q15125 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
LTB4R Q15722 2/20 0.58
LTB4R2 Q9NPC1 2/20 0.58
KMT2A Q03164 1/20 0.57
GAA P10253 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL9075348 0.94 LTB4R (0.64) SIGMAR1EBPTMEM97LTB4RLTB4R2
SCHEMBL8731740 0.88 SIGMAR1 (0.64) SIGMAR1EBPTMEM97KMT2A
SCHEMBL9077917 0.86 SLC2A1 (0.52) SIGMAR1LTB4RLTB4R2
SCHEMBL9076148 0.86 SLC2A1 (0.52) SIGMAR1LTB4RLTB4R2
SCHEMBL2391945 0.86 SMPD1 (0.61) KMT2AGAAALDH1A1TSHRNFKB1
SCHEMBL6384483 0.84 LDHA (0.69) SIGMAR1
SCHEMBL17709273 0.83 GAA (0.59) LTB4RLTB4R2KMT2AGAAALDH1A1
SCHEMBL14823517 0.83 GAA (0.59) LTB4RLTB4R2GAAALDH1A1TSHR
SCHEMBL30049382 0.82 GAA (0.74) KMT2AGAAALDH1A1TSHRNFKB1
SCHEMBL153055 0.82 GAA (0.74) KMT2AGAAALDH1A1TSHRNFKB1

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
EP-0641766-B1 ALKOXYPHENYLALKYLAMINE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 1998-11-11 EP disclosed
US-5495046-A PSYCHOLOGICAL DISORDERS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-02-27 US disclosed
EP-0641766-A1 ALKOXYPHENYLALKYLAMINE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-03-08 EP disclosed