SCHEMBL8653249

SCHEMBL8653249

CCC1Oc2ccccc2N(Cc2cccc(C(=O)O)c2Oc2ccc(CCN)cc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
USP2 O75604 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DHODH Q02127 1/20 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
SCHEMBL8653253 0.80 TP53 (0.41) HTTTP53LMNATSHRALDH1A1
SCHEMBL8554310 0.71 TSHR (0.48) TSHRALDH1A1SMN1; SMN2
SCHEMBL8553942 0.70 TSHR (0.46) TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL8602443 0.70 HTT (0.51) HTTTSHRALDH1A1
SCHEMBL8632952 0.69 SIRT1 (0.41) TP53LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL8555413 0.68 HTT (0.52) HTTTSHRALDH1A1SMN1; SMN2SIRT1
SCHEMBL8628591 0.68 LOXL2 (0.41) TP53LMNATSHRALDH1A1MAPK1
SCHEMBL8631498 0.67 TSHR (0.43) HTTTP53LMNATSHRALDH1A1
SCHEMBL3253076 0.66 ALOX15 (0.70) HTTTP53LMNATSHRALDH1A1
SCHEMBL8596034 0.64 TSHR (0.48) HTTTSHRALDH1A1

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
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed