SCHEMBL28501245

SCHEMBL28501245

CC(C)(C)c1ccc(C(OC=O)C2CO2)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HSD11B1 P28845 2/20 0.32
GRIA4 P48058 2/20 0.31
ATM Q13315 1/20 0.31
GPR35 Q9HC97 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
ACACB O00763 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
SCHEMBL266494 0.82 TSHR (0.34) TP53TSHRHSD11B1GRIA4ATM
SCHEMBL6423516 0.75 TSHR (0.44) TP53TSHRGRIA4ATMGPR35
SCHEMBL372232 0.75 ALDH1A1 (0.44) TP53TSHRGRIA4ATMGPR35
SCHEMBL1956594 0.70 LMNA (0.39) TP53TSHRHSD11B1NR1H4
SCHEMBL8847334 0.68 KMT2A (0.49) TP53TSHR
SCHEMBL10411363 0.67 SHBG (0.42) TP53TSHR
SCHEMBL18253202 0.64 SLC6A4 (0.45) TSHRHSD11B1
SCHEMBL10411364 0.63 CNR2 (0.42) TP53TSHR
SCHEMBL3784692 0.63 CHRNA7 (0.39)
SCHEMBL4460887 0.62 IDO1 (0.38) TSHR

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
CN-112089480-A Coronary artery cutting balloon and catheter thereof 浙江桐轩医疗科技有限公司 2020-12-18 CN disclosed