SCHEMBL11096445

SCHEMBL11096445

COc1ccc(C2(C(=O)O)CCC(=O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
TET3 O43151 1/20 0.57
FBXL19 Q6PCT2 1/20 0.57
CXXC5 Q7LFL8 1/20 0.57
TET1 Q8NFU7 1/20 0.57
KDM2B Q8NHM5 1/20 0.57
CXXC4 Q9H2H0 1/20 0.57
KDM2A Q9Y2K7 1/20 0.57
KCNA3 P22001 1/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1C1 Q04828 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL31001015 0.94 KMT2A (0.52) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL301027 0.88 KMT2A (0.64) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL8179850 0.87 F10 (0.47) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL16287573 0.86 KCNA3 (0.48) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3443266 0.85 KMT2A (0.61) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL503291 0.85 KMT2A (0.65) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL19438755 0.85 KMT2A (0.54) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL21874269 0.83 KMT2A (0.63) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL503877 0.83 KMT2A (0.63) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL11047671 0.83 F10 (0.48) KMT2ATET3FBXL19CXXC5TET1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US disclosed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 US disclosed