SCHEMBL19442008

SCHEMBL19442008

O=C(OCC(=O)N1CCOCC1)c1ccc(O)o1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ POLB P06746 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ FKBP1A P62942 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ LMNA P02545 1/20 0.53

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
SCHEMBL11985078 0.87 HTT (0.60) RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL11980704 0.85 RAB9A (0.64) RAB9ANPC1POLBL3MBTL1FKBP1A
SCHEMBL19442006 0.83 ALDH1A1 (0.69) RAB9ANPC1L3MBTL1ALDH1A1LMNA
SCHEMBL15268192 0.80 CASP6 (0.46) RAB9APOLBKDM4EMEN1KMT2A
SCHEMBL19442012 0.79 KDM4E (0.50) RAB9APOLBSMN1; SMN2KDM4EKMT2A
SCHEMBL11985172 0.78 POLB (0.61) RAB9ANPC1POLBL3MBTL1SMN1; SMN2
SCHEMBL19442051 0.78 ATM (0.63) L3MBTL1SMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL27876376 0.78 HTT (0.80) RAB9ANPC1POLBSMN1; SMN2KDM4E
SCHEMBL992135 0.76 POLB (0.61) RAB9ANPC1POLBL3MBTL1FKBP1A
SCHEMBL18609175 0.73 RAB9A (1.00) RAB9ANPC1POLBFKBP1ASMN1; SMN2

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-9782382-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2017-10-10 — — US disclosed
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