SCHEMBL8316358

SCHEMBL8316358

CCOC(=O)OC1C(C)CC(C)N1C(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
DPP4 P27487 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
CCR3 P51677 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
P2RX7 Q99572 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
SCHEMBL8316234 0.86 HSD11B1 (0.33) KMT2ALMNASMN1; SMN2TSHRDPP4
SCHEMBL8312715 0.84 KMT2A (0.40) KMT2ALMNASMN1; SMN2TSHRERCC1
SCHEMBL8318855 0.83 KMT2A (0.40) KMT2ALMNASMN1; SMN2TSHRERCC1
SCHEMBL8875634 0.83 KMT2A (0.42) KMT2ALMNASMN1; SMN2TSHRERCC1
SCHEMBL8316807 0.83 SMN1; SMN2 (0.37) KMT2ALMNASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8318325 0.83 KMT2A (0.39) KMT2ALMNASMN1; SMN2TSHRERCC1
SCHEMBL8313154 0.82 KMT2A (0.41) KMT2ALMNASMN1; SMN2TSHRERCC1
SCHEMBL8317102 0.82 KMT2A (0.43) KMT2ASMN1; SMN2TSHRCYP3A4CYP2C9
SCHEMBL8316830 0.81 KMT2A (0.43) KMT2ALMNASMN1; SMN2TSHRERCC1
SCHEMBL8316915 0.80 TSHR (0.46) KMT2ALMNASMN1; SMN2TSHRSIGMAR1

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-0501129-B1 Substituted bicyclic 3-arylpyrrolidin-2,4-dion derivatives BAYER AG (DE) 1999-07-14 EP disclosed
EP-0501129-A1 Substituted bicyclic 3-arylpyrrolidin-2,4-dion derivatives BAYER AG (DE) 1992-09-02 EP disclosed