SCHEMBL27876376

SCHEMBL27876376

O=C(OCC(=O)N1CCOCC1)c1ccco1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.80
▸ ALDH1A1 P00352 4/20 0.73
▸ RAB9A P51151 5/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ POLB P06746 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.56
▸ PKM P14618 1/20 0.55
▸ USP2 O75604 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ GLA P06280 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
SCHEMBL28038078 0.87 HTT (0.97) HTTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL27876284 0.84 ALDH1A1 (1.00) HTTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL27656401 0.80 KMT2A (0.55) HTTALDH1A1RAB9ANPC1MEN1
SCHEMBL27859664 0.79 HTT (0.71) HTTALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL24177790 0.78 ALDH1A1 (0.60) HTTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL19442008 0.78 RAB9A (0.60) ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL11980704 0.77 RAB9A (0.64) ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL27859665 0.76 GAA (0.57) HTTALDH1A1RAB9ANPC1KDM4E
SCHEMBL9792219 0.76 ALDH1A1 (0.88) HTTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL31757952 0.74 KMT2A (0.66) HTTALDH1A1NPC1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102482249-B TOFA analogs for treating skin disorders or conditions 德米拉(加拿大)公司 2016-06-08 — — CN claimed
CN-105017187-A TOFA analogs useful in treating dermatological disorders or conditions VALOCOR THERAPEUTICS INC 2015-11-04 — — CN claimed
CN-102482249-A TOFA analogs for treating skin disorders or conditions VALOCOR THERAPEUTICS INC 2012-05-30 — — CN claimed
CN-105017187-B TOFA analogs for treating skin disorder or morbid state 德米拉(加拿大)公司 2017-10-24 — — CN disclosed
CN-102482249-B TOFA analogs for treating skin disorders or conditions 德米拉(加拿大)公司 2016-06-08 — — CN disclosed
CN-105017187-A TOFA analogs useful in treating dermatological disorders or conditions VALOCOR THERAPEUTICS INC 2015-11-04 — — CN disclosed
CN-102482249-A TOFA analogs for treating skin disorders or conditions VALOCOR THERAPEUTICS INC 2012-05-30 — — CN disclosed
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