SCHEMBL9874015

SCHEMBL9874015

CCOC(=O)c1cc(F)c(C2(C(=O)OC(c3ccccc3)c3ccccc3)CC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
TSHR P16473 4/20 0.39
TP53 P04637 2/20 0.38
OPRM1 P35372 4/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
KCNA3 P22001 1/20 0.37
ALDH1A1 P00352 7/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL9873809 0.86 LMNA (0.36) LMNATSHRTP53ALDH1A1MAPT
SCHEMBL9874790 0.81 TSHR (0.38) LMNATSHRTP53ALDH1A1MAPT
SCHEMBL9873509 0.78 TSHR (0.43) LMNATSHRTP53ALDH1A1MAPT
SCHEMBL9873486 0.77 TSHR (0.41) LMNATSHRTP53ALDH1A1MAPT
SCHEMBL9875016 0.76 TDP1 (0.42) LMNATSHRTP53ALDH1A1MAPT
SCHEMBL9873569 0.75 TP53 (0.41) LMNATSHRTP53ALDH1A1MAPT
SCHEMBL9873566 0.75 TP53 (0.41) LMNATSHRTP53ALDH1A1MAPT
SCHEMBL8628876 0.74 GSK3B (0.48) LMNAOPRM1ALDH1A1HPGDHSD17B10
SCHEMBL8601039 0.73 KDM4E (0.36) LMNAOPRM1OPRD1OPRK1KCNA3
SCHEMBL28804542 0.72 TSHR (0.36) LMNATSHRTP53ALDH1A1MAPT

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-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 US disclosed