SCHEMBL1387848

SCHEMBL1387848

CC(C)(C)c1cc(N(CC(=O)O)C(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 4/20 0.38
▸ RXRB P28702 4/20 0.38
▸ RXRG P48443 4/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TACR1 P25103 2/20 0.34
▸ ELANE P08246 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ CD69 Q07108 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33

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
SCHEMBL9079952 0.87 MLYCD (0.40) MEN1KMT2ADRD4OPRM1SIGMAR1
SCHEMBL20187534 0.77 CACNA2D1 (0.49) DRD4OPRM1SIGMAR1ALDH1A1KDM4E
SCHEMBL1387794 0.77 MEN1 (0.42) MEN1KMT2AOPRM1ALDH1A1KDM4E
SCHEMBL1387733 0.73 ALDH1A1 (0.43) MEN1KMT2ADRD4ALDH1A1KDM4E
SCHEMBL9080067 0.71 ALDH1A1 (0.42) MEN1KMT2ADRD4ALDH1A1KDM4E
SCHEMBL1387584 0.70 NAMPT (0.36) KMT2AALDH1A1KDM4ETSHR
SCHEMBL22403100 0.70 CACNA2D1 (0.45) MEN1KMT2ADRD4OPRM1SIGMAR1
SCHEMBL10102506 0.70 TSHR (0.41) MEN1KMT2AELANEDRD4CD69
SCHEMBL1387663 0.69 S1PR1 (0.63) MEN1KMT2AALDH1A1
SCHEMBL20199981 0.68 DRD4 (0.43) TACR1DRD4OPRM1SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08511809-A — — 1996-12-10 — — JP claimed
US-5573752-A Aromatic amide compounds and metal chelates thereof BRACCO INTERNATIONAL B.V. 1996-11-12 — — US claimed
EP-0702677-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO International B.V. (NL) 1996-03-27 — — EP claimed
WO-1995027705-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO INTERNATIONAL B.V. (NL) 1995-10-19 — — WO claimed
US-5573752-A Aromatic amide compounds and metal chelates thereof BRACCO INTERNATIONAL B.V. 1996-11-12 — — US disclosed
WO-1995027705-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO INTERNATIONAL B.V. (NL) 1995-10-19 — — WO disclosed
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