SCHEMBL8422404

SCHEMBL8422404

O=C(CCCc1ccccc1OCCCCOc1ccccc1)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ HTT P42858 1/20 0.64
▸ GAA P10253 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ RAB9A P51151 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALOX15 P16050 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
SCHEMBL8420285 0.94 SMN1; SMN2 (0.62) SMN1; SMN2HTTGAACYP1A2CYP3A4
SCHEMBL8420219 0.87 SMN1; SMN2 (0.58) SMN1; SMN2HTTGAACYP1A2CYP3A4
SCHEMBL8422410 0.85 SMN1; SMN2 (0.68) SMN1; SMN2HTTGAACYP1A2CYP3A4
SCHEMBL8420658 0.84 SMN1; SMN2 (0.52) SMN1; SMN2HTTGAAALDH1A1RAB9A
SCHEMBL8420292 0.80 GAA (0.68) SMN1; SMN2HTTGAACYP1A2CYP3A4
SCHEMBL8422575 0.78 SMN1; SMN2 (0.50) SMN1; SMN2HTTGAAALDH1A1RAB9A
SCHEMBL949371 0.76 GAA (0.70) SMN1; SMN2HTTGAAALDH1A1MAPT
SCHEMBL8422566 0.76 NR1H4 (0.59) SMN1; SMN2HTTNR1H4
SCHEMBL17413764 0.74 FFAR1 (0.57) ALDH1A1
SCHEMBL17413766 0.73 LTB4R (0.60) CYP2C9HDAC1HDAC2

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
US-5872280-A RESPIRATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 — — US disclosed
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