SCHEMBL8422575

SCHEMBL8422575

O=C(CCc1ccccc1OCCCCOc1ccccc1)Nc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ HPGD P15428 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PLK1 P53350 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL8420658 0.95 SMN1; SMN2 (0.52) SMN1; SMN2HTTHPGDNPC1RAB9A
SCHEMBL8419001 0.89 KDM4E (0.57) SMN1; SMN2HTTHPGDALDH1A1KDM4E
SCHEMBL8418953 0.84 ALDH1A1 (0.60) SMN1; SMN2HTTNPC1RAB9AALDH1A1
SCHEMBL8422577 0.84 HTT (0.54) SMN1; SMN2HTTKDM4EPOLBGAA
SCHEMBL8420285 0.84 SMN1; SMN2 (0.62) SMN1; SMN2HTTNPC1RAB9AALDH1A1
SCHEMBL8420661 0.83 HTT (0.55) SMN1; SMN2HTTHPGDRAB9APLK1
SCHEMBL8768524 0.79 ALDH1A1 (0.59) SMN1; SMN2HTTALDH1A1KDM4EPLK1
SCHEMBL8422404 0.78 SMN1; SMN2 (0.64) SMN1; SMN2HTTNPC1RAB9AALDH1A1
SCHEMBL8422409 0.78 PPARD (0.53) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL8767987 0.76 HTT (0.49) SMN1; SMN2HTTHPGDPOLBLTB4R

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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