SCHEMBL9858838

SCHEMBL9858838

C=CC(=O)OCCOC(=O)C(CCCC)OP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMPD1 P17405 3/20 0.40
THRB P10828 3/20 0.39
ATM Q13315 1/20 0.37
FDPS P14324 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL9858820 0.90 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6692458 0.82 TSHR (0.51) TSHRALDH1A1SMPD1THRBFDPS
SCHEMBL28746443 0.78 SMPD1 (0.57) TSHRSMPD1FDPSPTPN1
SCHEMBL26110733 0.77 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4SMPD1
Acrylic Acid Ethyl Ester SCHEMBL28252529 0.77 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13346680 0.76 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
Phosphoric Acid SCHEMBL28827478 0.75 TSHR (0.85) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15820584 0.75 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10150609 0.74 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6791410 0.74 SMPD1 (0.56) TSHRHPGDSMPD1THRBFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5069929-A TEMPORARY; REMOVABLE WITH ALKALINE AQUEOUS SOLUTION SUMITOMO METAL INDUSTRIES, LTD. (JP) 1991-12-03 US disclosed
EP-0175035-B1 U.V. RADIATION-CURABLE RUST-PREVENTIVE COATING COMPOSITIONS FOR STEEL PRODUCTS SUMITOMO METAL INDUSTRIES, LTD. (JP) 1989-05-31 EP disclosed
EP-0175035-A1 U.V. radiation-curable rust-preventive coating compositions for steel products SUMITOMO METAL INDUSTRIES, LTD. (JP) 1986-03-26 EP disclosed