SCHEMBL9417191

SCHEMBL9417191

CCCC(=O)c1ccc(OP(=O)(O)OCl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
HSD17B3 P37058 1/20 0.40
HPGD P15428 2/20 0.39
PDE4D Q08499 5/20 0.39
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL4821209 0.82 ADRB2 (0.45) TAS1R3TAS1R1HPGDMEN1POLB
SCHEMBL3950960 0.79 TAS1R3 (0.57) THRATHRBTAS1R3TAS1R1HSD17B3
SCHEMBL13952520 0.77 THRA (0.59) THRATHRBHSD17B3MEN1LMNA
SCHEMBL11603736 0.74 TDP1 (0.59) THRATHRBHPGDMEN1LMNA
SCHEMBL6330127 0.74 TDP1 (0.45) HPGDLMNATDP1SMN1; SMN2NPC1
SCHEMBL634176 0.73 HSD17B3 (0.55) HSD17B3HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL9417149 0.72 ALDH1A1 (0.41) THRATHRBHSD17B3HPGDLMNA
SCHEMBL9347220 0.71 CA1 (0.40) THRBHPGDMEN1LMNAKMT2A
SCHEMBL2239062 0.70 HSP90AA1 (0.58) THRATHRBHSD17B3HPGDMEN1
SCHEMBL9575803 0.69 HSD17B3 (0.42) THRATHRBHSD17B3HPGDMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363688-B1 Novel phosphoric acid derivatives and a method for determination of acid phosphatase activity using the same NITTO BOSEKI CO LTD (JP) 1994-01-05 EP claimed
US-5081274-A Tumor diagnosis NITTO BOSEKI CO., LTD. (JP) 1992-01-14 US claimed
EP-0363688-A1 Novel phosphoric acid derivatives and a method for determination of acid phosphatase activity using the same NITTO BOSEKI CO., LTD. (JP) 1990-04-18 EP claimed
EP-0363688-B1 Novel phosphoric acid derivatives and a method for determination of acid phosphatase activity using the same NITTO BOSEKI CO LTD (JP) 1994-01-05 EP disclosed
US-5227291-A METHOD FOR DETERMINATION OF ACID PHOSPHATASE ACTIVITY USING 4-ACYL-2, 6-DIHALOPHENYL PHOSPHORIC ACID DERIVATIVES NITTO BOSEKI CO., LTD. (JP) 1993-07-13 US disclosed
US-5081274-A Tumor diagnosis NITTO BOSEKI CO., LTD. (JP) 1992-01-14 US disclosed
EP-0363688-A1 Novel phosphoric acid derivatives and a method for determination of acid phosphatase activity using the same NITTO BOSEKI CO., LTD. (JP) 1990-04-18 EP disclosed