SCHEMBL8696351

SCHEMBL8696351

COC(=O)N=C(N1CCC(c2cc(C)cc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3Cl)c2OC)CC1)N(C(=O)OC)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 5/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
LMNA P02545 3/20 0.35
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 0.32

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
SCHEMBL8698423 0.88 F2 (0.39) F2MEN1KMT2APOLB
SCHEMBL8702730 0.87 F2 (0.36) F2ALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL8696512 0.82 F2 (0.51) F2ALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL8696514 0.81 HPGD (0.38) F2ALDH1A1HPGDMEN1KMT2A
SCHEMBL7442488 0.81 F2 (0.58) F2
SCHEMBL7442482 0.81 F2 (0.58) F2
SCHEMBL8697958 0.75 F2 (0.46) F2
Hydrochloric Acid SCHEMBL8698660 0.75 F2 (0.59) F2ALDH1A1HPGDMEN1KMT2A
SCHEMBL8697954 0.74 F2 (0.39) F2MEN1KMT2A
Hydrochloric Acid SCHEMBL8698663 0.74 HPGD (0.44) F2ALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US claimed