SCHEMBL2846313

SCHEMBL2846313

O=S(=O)(NCC(O)c1ccc2c(c1)OCO2)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ MMP2 P08253 4/20 0.45
▸ MMP13 P45452 3/20 0.45
▸ MMP1 P03956 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ ADAMTS4 O75173 2/20 0.45
▸ MMP14 P50281 2/20 0.45
▸ ADAMTS5 Q9UNA0 2/20 0.45
▸ MEP1B Q16820 1/20 0.45
▸ CA2 P00918 1/20 0.44

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
SCHEMBL2840117 0.83 TP53 (0.48) ALDH1A1
SCHEMBL2838360 0.82 TP53 (0.47) ALDH1A1
SCHEMBL2840994 0.81 TP53 (0.58) MEN1KMT2AMAPTALDH1A1
SCHEMBL2841679 0.81 ALDH1A1 (0.56) ALDH1A1
SCHEMBL2837650 0.81 TP53 (0.57) MAPT
SCHEMBL13381547 0.80 KMT2A (0.44) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL2841104 0.80 TP53 (0.47) KMT2A
SCHEMBL13381728 0.79 CHRM3 (0.46) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2844651 0.79 MEN1 (0.41) HPGDMEN1KMT2AMAPTCASP3
SCHEMBL14602256 0.79 MMP9 (0.58) HPGDMEN1KMT2ACASP3SENP8

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
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 — — WO disclosed
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 — — WO disclosed
Send feedback