SCHEMBL22850375

SCHEMBL22850375

CC(=O)N[C@H]1Cc2ccc(cc2)OCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 16/20 0.84
▸ ST14 Q9Y5Y6 16/20 0.84
▸ TMPRSS2 O15393 14/20 0.84
▸ HGFAC Q04756 14/20 0.84
▸ F2 P00734 14/20 0.84
▸ F10 P00742 5/20 0.84
▸ MC4R P32245 3/20 0.42
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 1/20 0.41
▸ TUBB6 Q9BUF5 1/20 0.41

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
SCHEMBL31593144 1.00 HPN (0.84) HPNST14TMPRSS2HGFACF2
SCHEMBL22849994 1.00 HPN (0.84) HPNST14TMPRSS2HGFACF2
SCHEMBL31593121 1.00 HPN (0.84) HPNST14TMPRSS2HGFACF2
SCHEMBL31593103 1.00 HPN (0.84) HPNST14TMPRSS2HGFACF2
SCHEMBL31593107 0.91 HPN (0.85) HPNST14TMPRSS2HGFACF2
SCHEMBL31593146 0.91 HPN (0.83) HPNST14TMPRSS2HGFACF2
SCHEMBL31593152 0.91 HPN (0.83) HPNST14TMPRSS2HGFACF2
SCHEMBL31593114 0.90 HPN (0.84) HPNST14TMPRSS2HGFACF2
SCHEMBL31593094 0.81 HPN (0.83) HPNST14TMPRSS2HGFACF2
SCHEMBL31593139 0.81 HPN (0.83) HPNST14TMPRSS2HGFACF2

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
WO-2020264187-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS JANETKA JAMES (US) 2020-12-30 — — WO disclosed
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