SCHEMBL8420219

SCHEMBL8420219

O=C(Cc1ccccc1OCCCCOc1ccccc1)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ MEN1 O00255 7/20 0.52
▸ KMT2A Q03164 7/20 0.52
▸ TSHR P16473 1/20 0.52
▸ RAB9A P51151 3/20 0.49
▸ POLB P06746 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CASP6 P55212 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ NFKB1 P19838 1/20 0.45

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
SCHEMBL8420285 0.88 SMN1; SMN2 (0.62) SMN1; SMN2HTTMEN1KMT2ATSHR
SCHEMBL8422404 0.87 SMN1; SMN2 (0.64) SMN1; SMN2HTTMEN1KMT2ATSHR
SCHEMBL8419001 0.83 KDM4E (0.57) SMN1; SMN2HTTMEN1KMT2APOLB
SCHEMBL8422410 0.76 SMN1; SMN2 (0.68) SMN1; SMN2HTTMEN1KMT2ATSHR
SCHEMBL8420292 0.75 GAA (0.68) SMN1; SMN2HTTMEN1KMT2ARAB9A
SCHEMBL9798378 0.74 PPARD (0.59) MEN1KMT2ARAB9AALDH1A1
SCHEMBL949371 0.72 GAA (0.70) SMN1; SMN2HTTALDH1A1GAANR1H4
SCHEMBL8420287 0.72 HTT (0.53) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL8422575 0.72 SMN1; SMN2 (0.50) SMN1; SMN2HTTMEN1KMT2ARAB9A
SCHEMBL8422566 0.72 NR1H4 (0.59) SMN1; SMN2HTTNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872280-A RESPIRATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 — — US disclosed
EP-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 — — EP disclosed
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