SCHEMBL9873809

SCHEMBL9873809

CCOC(=O)c1cc(F)c(C2(C(=O)OC(c3ccccc3)c3ccccc3)CC2C)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
TP53 P04637 3/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 6/20 0.34
HPGD P15428 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL9874015 0.86 LMNA (0.40) LMNATP53TSHRALDH1A1HPGD
SCHEMBL9873963 0.82 TSHR (0.36) LMNATP53TSHRALDH1A1HPGD
SCHEMBL9873486 0.74 TSHR (0.41) LMNATP53TSHRALDH1A1HPGD
SCHEMBL9873509 0.73 TSHR (0.43) LMNATP53TSHRALDH1A1HPGD
SCHEMBL9875016 0.73 TDP1 (0.42) LMNATP53TSHRALDH1A1HPGD
SCHEMBL9873493 0.72 RORC (0.40) TP53TSHRSMN1; SMN2GAARAB9A
SCHEMBL9873569 0.72 TP53 (0.41) LMNATP53TSHRALDH1A1HPGD
SCHEMBL9873566 0.72 TP53 (0.41) LMNATP53TSHRALDH1A1HPGD
SCHEMBL9874790 0.69 TSHR (0.38) LMNATP53TSHRALDH1A1HPGD
SCHEMBL28804542 0.67 TSHR (0.36) LMNATP53TSHRALDH1A1HPGD

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