SCHEMBL9686287

SCHEMBL9686287

O=C(O)c1ccc(O)c(O)c1O.O=C(c1ccccc1O)c1cccc(O)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.66
SELP P16109 1/20 0.66
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
HMGB1 P09429 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
NAPRT Q6XQN6 1/20 0.57
CA14 Q9ULX7 1/20 0.57
GSTA1 P08263 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL22938973 0.93 ALDH1A1 (0.65) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL93431 0.91 GSTA1 (0.56) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL29660832 0.91 GSTA1 (0.56) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL7798423 0.89 ALDH1A1 (0.65) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL22939095 0.87 SELL (0.67) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL273458 0.87 HDAC1 (0.59) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL29468156 0.87 HDAC1 (0.59) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL30740067 0.87 LIG1 (0.55) KDM4EALDH1A1HPGDSMN1; SMN2CA12
SCHEMBL301928 0.87 LIG1 (0.55) KDM4EALDH1A1HPGDSMN1; SMN2CA12
SCHEMBL8923910 0.85 KMT2A (0.68) SELLSELPKDM4EALDH1A1HPGD

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
US-5097008-A Tetraphenylborate catalyst, melt strength GENERAL ELECTRIC COMPANY (US) 1992-03-17 US disclosed