SCHEMBL8610786

SCHEMBL8610786

CC(C)(C)OC(=O)N1CCC(O)(c2ccc(-c3ccccc3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.49
MMP1 P03956 1/20 0.49
ACKR3 P25106 1/20 0.47
USP30 Q70CQ3 4/20 0.47
SCD5 Q86SK9 1/20 0.46
GPR119 Q8TDV5 3/20 0.44
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGDS O60760 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
SCHEMBL15376233 0.82 HDAC1 (0.43) SCD5GPR119TSHRALOX15ATM
SCHEMBL31283885 0.82 GPR119 (0.43) MMP13GPR119TSHRALOX15ATM
SCHEMBL1668225 0.81 MEN1 (0.44) GPR119TSHRALOX15ATMHDAC1
SCHEMBL3893444 0.79 USP30 (0.51) USP30SCD5GPR119TSHRALOX15
SCHEMBL8610935 0.79 USP30 (0.56) USP30SCD5GPR119TSHRALOX15
SCHEMBL240381 0.79 TSHR (0.57) USP30GPR119TSHRALOX15ATM
SCHEMBL6331587 0.77 MMP13 (0.41) MMP13MMP1ACKR3USP30SCD5
SCHEMBL29891456 0.77 ACKR3 (0.53) MMP13ACKR3SCD5GPR119TSHR
SCHEMBL5241257 0.77 ACKR3 (0.53) MMP13ACKR3SCD5GPR119TSHR
SCHEMBL986690 0.77 GPR119 (0.47) SCD5GPR119TSHRALOX15ATM

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-5712285-A Pyrrolo-pyridine derivatives MERCK, SHARP & DOHME, LTD. (GB) 1998-01-27 US disclosed