SCHEMBL20160882

SCHEMBL20160882

COC(=O)c1cc(C(F)(F)F)cc(O)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.50
NOTUM Q6P988 1/20 0.47
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
P2RX1 P51575 3/20 0.42
TMPRSS4 Q9NRS4 3/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.40
SOS1 Q07889 1/20 0.39
MAPT P10636 1/20 0.39
MYC P01106 1/20 0.39
GPR35 Q9HC97 1/20 0.39
CES2 O00748 1/20 0.39

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
SCHEMBL27387385 0.86 CFTR (0.53) CFTRNOTUMP2RX1TMPRSS4SOS1
SCHEMBL4863532 0.85 CFTR (0.55) CFTRNOTUMCA12CA1CA2
SCHEMBL25355994 0.83 CFTR (0.50) CFTRNOTUMCA12CA1CA2
SCHEMBL23065961 0.82 NOTUM (0.54) CFTRNOTUMP2RX1TMPRSS4SOS1
SCHEMBL12499874 0.82 CFTR (0.65) CFTRNOTUMP2RX1TSHRGAA
SCHEMBL20160881 0.81 RXRA (0.49) NOTUMP2RX1TMPRSS4CES2KDM4E
SCHEMBL28165889 0.80 CFTR (0.47) CFTRNOTUMP2RX1TMPRSS4SOS1
SCHEMBL12499334 0.78 TDP1 (0.49) CFTRNOTUMP2RX1LMNATSHR
SCHEMBL422201 0.78 CFTR (0.69) CFTRNOTUMCA12CA1CA2
SCHEMBL13280707 0.78 CFTR (0.64) CFTRNOTUMCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024072178-A1 COMPOUND FOR TARGETED PROTEIN DEGRADATION, AND USE THEREOF (주)사이러스테라퓨틱스 2024-04-04 WO disclosed
WO-2022268229-A1 PROTEIN INHIBITOR OR DEGRADING AGENT, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PHARMACEUTICAL USE 和径医药科技(上海)有限公司 2022-12-29 WO disclosed
WO-2018086589-A1 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES 上海海雁医药科技有限公司 2018-05-17 WO disclosed