SCHEMBL11325271

SCHEMBL11325271

C=CC(C)OP(=O)(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA5A P35218 2/20 0.41
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CFTR P13569 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.36
ESR1 P03372 1/20 0.35
PKM P14618 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
SCHEMBL11308516 0.83 TSHR (0.44) TSHRALOX15ALDH1A1L3MBTL1CA2
SCHEMBL11312193 0.80 ALDH1A1 (0.43) TSHRALOX15ALDH1A1L3MBTL1CA2
SCHEMBL4193999 0.80 ALDH1A1 (0.64) TSHRALOX15ALDH1A1L3MBTL1CA2
SCHEMBL11312466 0.79 TSHR (0.43) TSHRALOX15ALDH1A1L3MBTL1CA2
SCHEMBL11308357 0.77 KCNH2 (0.40) TSHRALOX15ALDH1A1L3MBTL1CA2
SCHEMBL11315410 0.76 TSHR (0.43) TSHRALOX15ALDH1A1L3MBTL1CA2
SCHEMBL11310454 0.76 KDM4E (0.42) TSHRALOX15ALDH1A1L3MBTL1KDM4E
SCHEMBL11312159 0.76 HPGD (0.40) TSHRALOX15POLBMEN1KMT2A
SCHEMBL16428475 0.74 ALDH1A1 (0.47) ALDH1A1L3MBTL1CA2CA4CA5A
SCHEMBL5407646 0.74 ALDH1A1 (0.47) TSHRALOX15ALDH1A1L3MBTL1CA2

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-4257987-A SYNERGISTIC ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-24 US disclosed