SCHEMBL9862055

SCHEMBL9862055

C=CC(=O)OC(C)(C)OC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 6/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL8965554 0.93 TSHR (0.39) TSHRLMNAALDH1A1TP53HIF1A
SCHEMBL9862049 0.86 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11333311 0.86 HCAR2 (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8597407 0.84 ALDH1A1 (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11333346 0.83 HCAR2 (0.45) TSHRLMNAALDH1A1TP53HIF1A
SCHEMBL11333320 0.83 HCAR2 (0.45) TSHRLMNAALDH1A1TP53HIF1A
SCHEMBL27908895 0.82 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene SCHEMBL688287 0.82 ALDH1A1 (0.35) TSHRLMNAALDH1A1
SCHEMBL4456119 0.82 TSHR (0.39) TSHRALDH1A1HIF1A
SCHEMBL1068177 0.81 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423767-A2 Thermoplastic resin composition and method for preparing the same NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-04-24 EP disclosed
EP-0225102-B1 METHOD FOR PRODUCING A GRAFTED ETHYLENE-ACRYLIC ACID ESTER COPOLYMER NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1990-07-25 EP disclosed
EP-0361400-A2 Thermoplastic resin composition NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-04-04 EP disclosed
EP-0334296-A2 Thermoplastic resin composition and method for preparing the same NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-09-27 EP disclosed
US-4753990-A USING A PEROXY GROUP CONTAINING BLOCK POLYMER NIPPON OIL AND FATS CO., LTD. (JP) 1988-06-28 US disclosed
EP-0225102-A1 Method for producing a grafted ethylene-acrylic acid ester copolymer NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-06-10 EP disclosed
US-4665132-A CONTAINING PEROXY GROUPS NIPPON OIL & FATS CO., LTD. (JP) 1987-05-12 US disclosed
US-4665131-A CONTAINING PEROXYCARBONATE GROUPS NIPPON OIL AND FATS COMPANY, LTD. (JP) 1987-05-12 US disclosed
EP-0206645-A2 Block copolymer NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-12-30 EP disclosed
EP-0206644-A2 Block copolymer NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-12-30 EP disclosed