SCHEMBL8538767

SCHEMBL8538767

CC(=O)N(Oc1ccccc1)c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.30
ICAM1 P05362 2/20 0.30
ITGAL P20701 2/20 0.30
BCL2 P10415 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL8539942 0.77 MEN1 (0.34) BCL2MCL1
SCHEMBL8538765 0.76 ABCB1 (0.31) BCL2MCL1
SCHEMBL6961039 0.76 SMN1; SMN2 (0.46)
SCHEMBL6958501 0.74 MAPT (0.39)
SCHEMBL8538761 0.74 NPC1 (0.47)
SCHEMBL8538642 0.73 ALDH1A1 (0.39) ITGB2ICAM1ITGAL
SCHEMBL6961094 0.72 NTRK1 (0.49)
SCHEMBL6958498 0.72 XDH (0.45)
SCHEMBL9038757 0.72 CYP2C9 (0.40)
SCHEMBL6963494 0.71 PTGES (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed