SCHEMBL7848147

SCHEMBL7848147

CCOC(=O)CC[C@H](NC(=O)c1ccc(CCCC=C[N+](=O)[O-])cc1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ DHFR P00374 3/20 0.40
▸ ASAH2 Q9NR71 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP4Z1 Q86W10 2/20 0.38
▸ CYP4F11 Q9HBI6 1/20 0.38
▸ CYP4F12 Q9HCS2 1/20 0.38

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
SCHEMBL7848146 1.00 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8143558 0.94 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8143561 0.94 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27660159 0.94 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27660161 0.94 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28757793 0.85 L3MBTL1 (0.51) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27639464 0.82 TAS1R3 (0.46) L3MBTL1ALDH1A1TAS1R3TAS1R1
SCHEMBL27639462 0.82 TAS1R3 (0.46) L3MBTL1ALDH1A1TAS1R3TAS1R1
SCHEMBL7571102 0.81 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27639466 0.80 CTSL (0.44) ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105396-A1 PROCESS FOR THE PREPARATION OF PYRROLO[2,3-D]PYRIMIDINES The Trustees of Princeton University (US) 2001-06-13 — — EP disclosed
US-6066732-A Process for the preparation of pyrrolo[2,3-d]pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-05-23 — — US disclosed
WO-2000011004-A1 PROCESS FOR THE PREPARATION OF PYRROLO[2,3-D]PYRIMIDINES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-03-02 — — WO disclosed
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