SCHEMBL8551614

SCHEMBL8551614

COC(=O)c1cccc(CN2C(=O)C(CCOc3ccc(CCNC(=O)OC(C)(C)C)cc3)Oc3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 2/20 0.40
GSK3B P49841 1/20 0.40
GAA P10253 1/20 0.39
THRB P10828 1/20 0.38
TRPA1 O75762 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
PPARG P37231 5/20 0.37

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
SCHEMBL8605054 0.93 TSHR (0.43) TSHRMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL8554097 0.93 ALDH1A1 (0.45) TSHRALDH1A1SMN1; SMN2TP53PPARG
SCHEMBL8604584 0.90 KDM4E (0.45) TSHRMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL8603793 0.87 ALDH1A1 (0.45) TSHRALDH1A1SMN1; SMN2TP53PPARG
SCHEMBL8604513 0.84 TSHR (0.44) TSHRALDH1A1SMN1; SMN2TP53PPARG
SCHEMBL8600794 0.83 TP53 (0.38) TSHRALDH1A1SMN1; SMN2TP53PPARG
SCHEMBL8604456 0.82 TSHR (0.45) TSHRALDH1A1SMN1; SMN2TP53GSK3B
SCHEMBL8557139 0.82 TP53 (0.42) ALDH1A1SMN1; SMN2TP53PPARG
SCHEMBL8554618 0.81 KDM4E (0.41) TSHRMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8600322 0.80 TSHR (0.42) TSHRTP53PPARG

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
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed