SCHEMBL9417154

SCHEMBL9417154

CCCC(=O)c1cc(Cl)c(O)c(Cl)c1.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
HSD17B3 P37058 3/20 0.50
TTR P02766 2/20 0.50
HPGD P15428 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
RECQL P46063 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
FASN P49327 2/20 0.40
MAPT P10636 1/20 0.38
PKM P14618 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
SCHEMBL9417188 0.98 ESR1 (0.53) ESR1HSD17B3TTRHPGDTDP1
SCHEMBL10355978 0.85 ESR1 (0.57) ESR1HSD17B3TTRALDH1A1MEN1
SCHEMBL10355766 0.84 HSD17B3 (0.57) ESR1HSD17B3TTRALDH1A1MEN1
SCHEMBL6808373 0.82 TTR (0.56) ESR1TTRTDP1ALDH1A1TSHR
SCHEMBL11741738 0.78 TTR (0.57) ESR1TTRHPGDALDH1A1TSHR
SCHEMBL2239062 0.78 HSP90AA1 (0.58) HSD17B3HPGDTDP1ALDH1A1TSHR
SCHEMBL20207163 0.78 HSD17B3 (0.55) ESR1HSD17B3HPGDTDP1ALDH1A1
SCHEMBL11740673 0.78 ESR1 (0.49) ESR1TTRHPGDTDP1ALDH1A1
SCHEMBL634176 0.77 HSD17B3 (0.55) HSD17B3HPGDTSHRL3MBTL1SMN1; SMN2
SCHEMBL9575803 0.77 HSD17B3 (0.42) ESR1HSD17B3HPGDTDP1ALDH1A1

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 4 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 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