SCHEMBL4639171

SCHEMBL4639171

CCCCCC(C)NC(=O)c1ccc(C(=O)NC(C)CCCCC)c2c(C(=O)O)ccc(C(=O)O)c12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 2/20 0.52
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PLA2G7 Q13093 1/20 0.39

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
SCHEMBL6267140 0.84 ALDH1A1 (0.59) MLYCDMEN1KMT2AALDH1A1RAB9A
SCHEMBL1897757 0.81 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1CYP1A2CNR2
SCHEMBL31373087 0.81 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1CYP1A2CNR2
SCHEMBL30195119 0.79 MEN1 (0.54) MEN1KMT2AALDH1A1RAB9ACYP1A2
SCHEMBL5332053 0.77 MLYCD (0.68) MLYCDMEN1KMT2AALDH1A1RAB9A
SCHEMBL9549306 0.76 MLYCD (0.49) MLYCDMEN1KMT2AALDH1A1RAB9A
SCHEMBL6075636 0.75 HTT (0.57) MLYCDALDH1A1HPGDCYP1A2HTT
Hydrochloric Acid SCHEMBL25280005 0.75 MLYCD (0.64) MLYCDMEN1KMT2AALDH1A1RAB9A
SCHEMBL822462 0.74 NAAA (0.59) MLYCDALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL5056873 0.74 NAAA (0.59) MLYCDALDH1A1HPGDHTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465019-B1 Imaging members XEROX CORP (US) 2008-08-06 — — EP disclosed
US-7223507-B2 Imaging members XEROX CORPORATION (US) 2007-05-29 — — US disclosed
US-20040197685-A1 Imaging members XEROX CORPORATION 2004-10-07 — — US disclosed
EP-1465019-A2 Imaging members Xerox Corporation (US) 2004-10-06 — — EP disclosed
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