SCHEMBL19346642

SCHEMBL19346642

CCCCOc1c(C(=O)Cl)occc1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 6/20 0.39
KMT2A Q03164 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL93031 0.87 LMNA (0.42) LDHAKMT2ATHRATHRBLMNA
SCHEMBL13946439 0.85 KMT2A (0.38) LDHAKMT2ATHRATHRBLMNA
SCHEMBL4549708 0.84 MAOA (0.39) LDHAKMT2ALMNAGAAMEN1
SCHEMBL17934208 0.83 LDHA (0.37) LDHAKMT2ATHRATHRBLMNA
SCHEMBL10271760 0.83 LMNA (0.40) LDHAKMT2ALMNAGAACYP1A2
SCHEMBL28562770 0.81 MEN1 (0.47) KMT2ATHRATHRBMEN1HPGD
SCHEMBL19346633 0.81 MEN1 (0.36) LDHAKMT2ALMNAGAAMEN1
SCHEMBL19346634 0.81 MEN1 (0.36) LDHAKMT2ALMNAGAAMEN1
SCHEMBL17831467 0.80 MEN1 (0.38) LDHAKMT2ALMNAGAAMEN1
SCHEMBL29142515 0.79 MAOA (0.43) KMT2ALMNAMEN1TSHR

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
WO-2017153919-A1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2017-09-14 WO disclosed