SCHEMBL7437305

SCHEMBL7437305

CCCC[S+]([O-])c1ccc(NC(=O)CN2CCC(NCC(O)C3COc4cc(C(F)(F)F)ccc4O3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
DRD4 P21917 1/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
EPHX2 P34913 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
SCHEMBL10993611 0.90 IDO1 (0.40) LMNASMN1; SMN2TSHRMAPTNPSR1
SCHEMBL7437302 0.85 TEAD1 (0.35)
SCHEMBL7438128 0.84 POLB (0.42) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL7436242 0.84 LMNA (0.46) LMNASMN1; SMN2TSHRMAPTNPSR1
SCHEMBL7430181 0.81 POLB (0.48) LMNASMN1; SMN2TSHRMAPTNPSR1
SCHEMBL7441222 0.81 CYP2D6 (0.36) LMNASMN1; SMN2NPSR1ALDH1A1L3MBTL1
SCHEMBL7438351 0.80 ALDH1A1 (0.40) LMNATSHRNPSR1ALDH1A1L3MBTL1
SCHEMBL7445848 0.78 POLB (0.45) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL7442150 0.78 DRD4 (0.52) LMNASMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL7495736 0.77 TSHR (0.49) LMNATSHRMAPTNPSR1ALDH1A1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed