SCHEMBL27859664

SCHEMBL27859664

O=C(OCC(=O)N1CCN(C2CCCCC2)CC1)c1ccco1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.71
▸ KDM4E B2RXH2 4/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ ALDH1A1 P00352 6/20 0.63
▸ POLB P06746 1/20 0.52
▸ PKM P14618 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ THRB P10828 1/20 0.49

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 0.85 HTT (0.97) HTTSMN1; SMN2ALDH1A1POLBPKM
SCHEMBL19442012 0.81 KDM4E (0.50) HTTKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL11980693 0.81 TDP1 (0.57) HTTKDM4ESMN1; SMN2ALDH1A1THRB
SCHEMBL27876376 0.79 HTT (0.80) HTTKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL27876284 0.77 ALDH1A1 (1.00) HTTSMN1; SMN2ALDH1A1POLBPKM
SCHEMBL992344 0.73 KMT2A (0.47) HTTKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL28069211 0.72 KMT2A (0.60) HTTKDM4EALDH1A1POLBLMNA
SCHEMBL13636153 0.70 SIGMAR1 (0.65) KDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL4384069 0.68 ALDH1A1 (0.71) KDM4EALDH1A1POLB
SCHEMBL4378521 0.68 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1POLB

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
CN-102482249-A TOFA analogs for treating skin disorders or conditions VALOCOR THERAPEUTICS INC 2012-05-30 — — CN claimed
CN-102482249-A TOFA analogs for treating skin disorders or conditions VALOCOR THERAPEUTICS INC 2012-05-30 — — CN disclosed
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