SCHEMBL20208352

SCHEMBL20208352

Cc1ccc(F)c(OCCC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 3/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
PPARA Q07869 2/20 0.43
TTR P02766 1/20 0.43
CYP2C8 P10632 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA1A P35348 1/20 0.43
PPARG P37231 1/20 0.43
HTR2B P41595 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
MAPT P10636 7/20 0.38
L3MBTL1 Q9Y468 7/20 0.38
HPGD P15428 4/20 0.38
CYP2C19 P33261 3/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL20207970 0.86 MRGPRX4 (0.43) CYP2C9SMN1; SMN2CYP1A2TSHRTDP1
SCHEMBL15085817 0.82 TSHR (0.60) CYP2C9SMN1; SMN2CYP1A2TSHRTDP1
SCHEMBL18374087 0.82 CYP2C9 (0.45) CYP2C9SMN1; SMN2CYP1A2TSHRTDP1
SCHEMBL20208353 0.82 TDP1 (0.38) CYP2C9SMN1; SMN2CYP1A2TSHRTDP1
SCHEMBL764961 0.80 MAPT (0.46) CYP2C9SMN1; SMN2TSHRTDP1MAPT
SCHEMBL19598860 0.80 CYP4F2 (0.36) TDP1L3MBTL1MCHR1PDE2AIDO1
SCHEMBL12958155 0.79 MAPT (0.56) CYP2C9SMN1; SMN2CYP1A2TSHRTDP1
SCHEMBL8251583 0.79 L3MBTL1 (0.47) CYP2C9SMN1; SMN2CYP1A2TSHRTDP1
SCHEMBL4317147 0.79 TSHR (0.44) CYP2C9SMN1; SMN2CYP1A2TSHRTDP1
SCHEMBL15085872 0.79 SMN1; SMN2 (0.51) CYP2C9SMN1; SMN2CYP1A2TSHRTDP1

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
WO-2021097057-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION (US) 2021-05-20 WO disclosed
WO-2018098208-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed