SCHEMBL7706230

SCHEMBL7706230

COCOc1ccc(C2(C(N)=O)CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
TSHR P16473 1/20 0.51
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 1/20 0.38
FYN P06241 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38

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
SCHEMBL5510283 0.85 KMT2A (0.57) LMNAKMT2AMEN1TSHRCYP2C19
SCHEMBL2112323 0.83 LMNA (0.68) LMNAKMT2AMEN1TSHRCYP3A4
SCHEMBL5205623 0.82 LMNA (0.65) LMNAKMT2AMEN1TSHRCYP3A4
SCHEMBL5508063 0.81 KMT2A (0.55) LMNAKMT2AMEN1TSHRCYP2C19
SCHEMBL10002472 0.79 LMNA (0.60) LMNAKMT2AMEN1TSHRCYP3A4
SCHEMBL28740690 0.77 HRH3 (0.55) LMNAKMT2AMEN1TSHRALDH1A1
SCHEMBL18892800 0.77 PSMB1 (0.54) LMNAKMT2AMEN1TSHRALDH1A1
SCHEMBL4992446 0.75 LMNA (0.59) LMNAKMT2AMEN1TSHRCYP3A4
SCHEMBL1480336 0.75 LMNA (0.55) LMNAKMT2ACYP3A4CYP2C19KDM4E
SCHEMBL7141114 0.74 LMNA (0.55) LMNAKMT2AMEN1TSHRCYP3A4

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-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP disclosed
WO-2000056702-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2000-09-28 WO disclosed