SCHEMBL5699514

SCHEMBL5699514

COc1cc(C(=O)OCc2ccccc2)ccc1-c1cc(C)c(OCCN[C@@H](C)[C@H](O)c2ccc(OCc3ccccc3)c(S(C)(=O)=O)c2N)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ ADRA1B P35368 2/20 0.39
▸ SMPD1 P17405 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ REN P00797 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
SCHEMBL5699446 0.91 ADRA1D (0.39) ADRA1DADRA1AADRA1BSMPD1HDAC1
SCHEMBL5699486 0.90 ADRA1A (0.38) ADRA1DADRA1AADRA1BSMPD1HDAC1
SCHEMBL5699430 0.89 MRGPRX4 (0.38) ADRA1DADRA1AADRA1BNPC1RAB9A
SCHEMBL5699338 0.87 ADRA1A (0.38) ADRA1DADRA1AADRA1BMAPTKDM4E
SCHEMBL4814918 0.85 ALDH1A1 (0.38) ADRA1DADRA1AADRA1BSMPD1HDAC1
SCHEMBL4814901 0.85 ALDH1A1 (0.38) ADRA1DADRA1AADRA1BSMPD1HDAC1
SCHEMBL5699463 0.83 ADRB1 (0.34) ADRA1DADRA1AADRA1BNPC1RAB9A
SCHEMBL5699492 0.81 MCL1 (0.40) ADRA1DADRA1AADRA1BMCHR1HTR1A
SCHEMBL5699370 0.81 FFAR1 (0.38) ADRA1DADRA1AADRA1B
SCHEMBL5699513 0.80 FFAR1 (0.39) ADRA1DADRA1AADRA1BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 — — EP disclosed
Send feedback