SCHEMBL30438454

SCHEMBL30438454

O=P(O)(O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 4/20 1.00
PGK1 P00558 6/20 0.78
PGK2 P07205 6/20 0.78
TAAR1 Q96RJ0 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
MMP2 P08253 1/20 0.51
IDO1 P14902 2/20 0.50
MLYCD O95822 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PLA2G1B P04054 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL8938031 1.00 ACP3 (1.00) ACP3PGK1PGK2TAAR1CA12
SCHEMBL8956972 0.81 ACP3 (0.68) ACP3PGK1PGK2TAAR1IDO1
SCHEMBL8957065 0.81 ACP3 (0.68) ACP3PGK1PGK2IDO1MLYCD
SCHEMBL8040890 0.80 PGK1 (0.66) ACP3PGK1PGK2
SCHEMBL8938041 0.80 ACP3 (0.66) ACP3PGK1PGK2TAAR1IDO1
SCHEMBL17457779 0.79 ACP3 (0.65) ACP3PGK1PGK2TAAR1CA12
SCHEMBL31091013 0.78 ACP3 (0.64) ACP3PGK1PGK2IDO1MLYCD
SCHEMBL2995687 0.77 PGK1 (0.72) ACP3PGK1PGK2TAAR1CA12
SCHEMBL8938034 0.77 ACP3 (0.87) ACP3PGK1PGK2TAAR1CA12
SCHEMBL29427108 0.76 ACP3 (0.60) ACP3PGK1PGK2TAAR1IDO1

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
CN-113707816-B Preparation method of perovskite solar cell 江苏盛开高新材料有限公司 2023-07-04 CN disclosed