SCHEMBL8945503

SCHEMBL8945503

CC(C)[C@@H](CO)NC(=O)C(F)(F)C(O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.49
PTPN1 P18031 2/20 0.47
BCL2 P10415 1/20 0.47
KLK5 Q9Y337 2/20 0.46
YAP1 P46937 3/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PSMB10 P40306 2/20 0.42
PSMB1 P20618 3/20 0.41
PSMB8 P28062 3/20 0.41
PSMB9 P28065 3/20 0.41
PSMB5 P28074 3/20 0.41
PSMB2 P49721 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
LTA4H P09960 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
SCHEMBL8945512 0.91 REN (0.47) RENPTPN1BCL2KLK5YAP1
SCHEMBL8945614 0.91 REN (0.47) RENPTPN1BCL2KLK5YAP1
SCHEMBL7417399 0.91 REN (0.47) RENPTPN1BCL2KLK5YAP1
SCHEMBL7331235 0.87 BCL2 (0.55) RENPTPN1BCL2KLK5YAP1
SCHEMBL7422374 0.86 BCL2 (0.49) RENPTPN1BCL2KLK5PSMB10
SCHEMBL8093075 0.86 PPARA (0.48) RENPTPN1BCL2KLK5YAP1
SCHEMBL7421310 0.86 REN (0.49) RENPTPN1BCL2KLK5YAP1
SCHEMBL7418529 0.85 REN (0.47) RENPTPN1BCL2KLK5
SCHEMBL8945683 0.85 CTSD (0.52) RENITGB3ITGA2BPSMB10PSMB1
SCHEMBL8945580 0.84 LTA4H (0.54) RENLTA4H

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
US-5559140-A VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 US disclosed
EP-0565631-B1 ANTI-VIRAL COMPOUNDS MERRELL PHARMA INC (US) 1996-09-18 EP disclosed
EP-0565631-A1 ANTI-VIRAL COMPOUNDS. MERRELL DOW PHARMA (US) 1993-10-20 EP disclosed
WO-1992012123-A1 ANTI-VIRAL COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-23 WO disclosed