SCHEMBL10490256

SCHEMBL10490256

C=C(C)C(=O)OCC(O)COc1cc2ccccc2cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
NR2E1 Q9Y466 2/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ABCB1 P08183 2/20 0.36
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3169241 0.82 RAB9A (0.51) LMNAKDM4ESMN1; SMN2HPGDPOLB
SCHEMBL30178735 0.82 RAB9A (0.51) LMNAKDM4ESMN1; SMN2HPGDPOLB
SCHEMBL12416580 0.81 NR2E1 (0.45) LMNAKDM4ECYP1A2SMN1; SMN2HPGD
SCHEMBL9321779 0.81 NR2E1 (0.60) LMNAKDM4ECYP1A2SMN1; SMN2TSHR
SCHEMBL12416575 0.80 CYP1A2 (0.52) LMNAKDM4ECYP1A2SMN1; SMN2TSHR
SCHEMBL219561 0.80 MAPT (0.51) LMNACYP1A2SMN1; SMN2TSHRPOLB
SCHEMBL13328772 0.79 KDM4E (0.57) LMNAKDM4ECYP1A2SMN1; SMN2HPGD
SCHEMBL10886359 0.79 CYP1A2 (0.51) LMNAKDM4ECYP1A2SMN1; SMN2TSHR
SCHEMBL18058330 0.79 LMNA (0.55) LMNAKDM4ECYP1A2SMN1; SMN2TSHR
SCHEMBL2722245 0.79 TSHR (0.50) LMNAKDM4ESMN1; SMN2HPGDTSHR

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-4822719-A Radiation-sensitive mixture, radiation-sensitive recording material containing said mixture, and process for preparing relief images HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed