SCHEMBL8539098

SCHEMBL8539098

CCC(C)c1ccccc1SC(=O)CC(=O)Sc1ccccc1C(C)CC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.36
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
CETP P11597 2/20 0.36
PPARA Q07869 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6950808 0.84 LMNA (0.42) TSHRMDM4TP53MDM2CETP
SCHEMBL27135634 0.77 TSHR (0.50) TSHRKDM4EPOLBHSP90AA1HSP90AB1
SCHEMBL943046 0.76 TSHR (0.57) TSHRKDM4EPKMPOLBCETP
SCHEMBL6953465 0.75 TSHR (0.49) TSHRKDM4EPKMPOLBPPARA
SCHEMBL10028917 0.74 TSHR (0.55) TSHRKDM4E
SCHEMBL20738184 0.74 TSHR (0.55) TSHRKDM4E
SCHEMBL20863067 0.73 TSHR (0.53) TSHRKDM4EPKMPOLB
SCHEMBL8538646 0.73 ACHE (0.50) POLBMDM4TP53MDM2CETP
SCHEMBL19705414 0.73 TSHR (0.53) TSHRKDM4ECYSLTR2CYSLTR1
SCHEMBL7367444 0.72 TSHR (0.45) TSHRKDM4EPOLBMEN1KMT2A

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