SCHEMBL9697014

SCHEMBL9697014

c1ccc(C2OOC(c3ccccc3)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
EPHX1 P07099 3/20 0.37
MAOA P21397 6/20 0.35
MAOB P27338 6/20 0.35
KDM1A O60341 4/20 0.35
CYP2B6 P20813 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2A6 P11509 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL65759 0.88
SCHEMBL12393860 0.74 SIRT1 (0.49) CYP2C19MEN1KMT2ALMNACYP3A4
SCHEMBL12393925 0.74 TSHR (0.46) CYP2C19MEN1KMT2ATSHRMAOA
SCHEMBL28772597 0.74 MEN1 (0.40) CYP2C19MEN1KMT2ATSHRLMNA
SCHEMBL1245102 0.72 MEN1 (0.48) CYP2C19MEN1KMT2ATSHRLMNA
SCHEMBL13356510 0.72 MEN1 (0.48) CYP2C19MEN1KMT2ATSHRLMNA
SCHEMBL15436881 0.72 MEN1 (0.48) CYP2C19MEN1KMT2ATSHRLMNA
SCHEMBL3092739 0.72 MEN1 (0.48) CYP2C19MEN1KMT2ATSHRLMNA
SCHEMBL31121207 0.72 CYP2C19 (0.43) CYP2C19MEN1KMT2ATSHRLMNA
SCHEMBL877724 0.72 MEN1 (0.48) CYP2C19MEN1KMT2ATSHRLMNA

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-5154912-A Nonradioactive labeled compounds for use in the medicine and biological fields ATOCHEM (FR) 1992-10-13 US disclosed