SCHEMBL8314804

SCHEMBL8314804

CCOC(=O)OC1CCC(C2CCCCC2)N1C(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
KMT2A Q03164 2/20 0.42
DPP4 P27487 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
P2RX7 Q99572 2/20 0.36
CCR3 P51677 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 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
SCHEMBL8313857 0.87 KMT2A (0.35) SIGMAR1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL8313154 0.85 KMT2A (0.41) SIGMAR1KMT2ADPP4TSHRPDE3B
SCHEMBL8315795 0.84 CCR1 (0.37) KMT2ATSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL8877223 0.84 TSHR (0.46) SIGMAR1KMT2ADPP4FAPDPP8
SCHEMBL8312908 0.83 KMT2A (0.45) SIGMAR1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL8316915 0.83 TSHR (0.46) SIGMAR1KMT2ATSHRPDE3BPDE3A
SCHEMBL9538321 0.81 SIGMAR1 (0.49) SIGMAR1KMT2ATSHRMAPK1RECQL
SCHEMBL9220150 0.80 KMT2A (0.44) SIGMAR1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL8314523 0.79 KMT2A (0.38) KMT2AMAPK1SMN1; SMN2ALDH1A1POLB
SCHEMBL8314253 0.79 KMT2A (0.36) KMT2ARECQLLMNASMN1; SMN2ALDH1A1

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