SCHEMBL17345002

SCHEMBL17345002

O=P(O)(O)OCc1ccc(COP(=O)(O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
AKR1C3 P42330 1/20 0.52
CETP P11597 3/20 0.43
PDPK1 O15530 2/20 0.42
MTOR P42345 1/20 0.42
PTPN1 P18031 4/20 0.40
PTPN2 P17706 3/20 0.40
PTPN6 P29350 3/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
PTPRC P08575 2/20 0.40
PTPRB P23467 2/20 0.40
PTPN11 Q06124 2/20 0.40
CDC25A P30304 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SRC P12931 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALPG P10696 1/20 0.38

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
SCHEMBL8384625 0.93 TSHR (0.52) TSHRAKR1C3CETPPTPN1MEN1
SCHEMBL28365963 0.91 TSHR (0.50) TSHRAKR1C3CETPPDPK1MTOR
SCHEMBL9093550 0.89 FDPS (0.50) TSHRAKR1C3CETPS1PR1S1PR3
SCHEMBL31091007 0.89 TSHR (0.48) TSHRAKR1C3PTPN1PTPN2PTPN6
SCHEMBL27541457 0.89 TSHR (0.48) TSHRAKR1C3MEN1KMT2A
SCHEMBL4906498 0.89 TSHR (0.48) TSHRAKR1C3CETPPDPK1MTOR
SCHEMBL207268 0.89 RAB9A (0.53) TSHRAKR1C3S1PR1S1PR3NPC1
SCHEMBL19917829 0.89 TSHR (0.48) TSHRAKR1C3CETPPDPK1MTOR
SCHEMBL12786033 0.89 TSHR (0.48) TSHRAKR1C3S1PR1S1PR3NPC1
SCHEMBL206610 0.88 TSHR (0.76) TSHRCETPPDPK1MTORSRC

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-20150361323-A1 TREATMENT FLUIDS FOR REDUCING SUBTERRANEAN FORMATION DAMAGE HALLIBURTON ENERGY SERVICES, INC. (US) 2015-12-17 US disclosed