SCHEMBL9702602

SCHEMBL9702602

CCCOc1ccccc1-c1ccc(-c2ccccc2OCCC)c(C(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.49
PTPRC P08575 1/20 0.47
ABL1 P00519 1/20 0.47
KDM4E B2RXH2 8/20 0.46
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MCL1 Q07820 2/20 0.45
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGER1 P34995 1/20 0.43
CA9 Q16790 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL5151601 0.86 LMNA (0.57) PTPN11KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL10751518 0.77 PTPN11 (0.56) PTPN11KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL3135517 0.76 LMNA (0.74) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL10438816 0.75 HTR7 (0.53) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL385606 0.75 LMNA (0.72) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
Lithium SCHEMBL385607 0.75 LMNA (0.72) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL5149366 0.74 PTGER1 (0.62) PTPN11KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL8014661 0.73 RXRA (0.61) PTPN11KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL9837607 0.73 L3MBTL1 (0.52) PTPN11ABL1KDM4ELMNASMN1; SMN2
SCHEMBL27301114 0.73 ADRB2 (0.63) KDM4ELMNASMN1; SMN2ALDH1A1PKM

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
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed