Sugi Predict

Sugi Predict / Compounds / SCHEMBL8767801

SCHEMBL8767801

SCHEMBL8767801

C=CCOC(=O)/C=C1\OC(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CYP3A4 P08684 2/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ RHOA P61586 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL8767806 1.00 NPSR1 (0.48) NPSR1CYP3A4ALDH1A1TSHRMAPK1
SCHEMBL13775156 0.81 ALDH1A1 (0.56) CYP3A4ALDH1A1TSHRMAPK1LMNA
SCHEMBL5009486 0.81 ALDH1A1 (0.56) CYP3A4ALDH1A1TSHRMAPK1LMNA
SCHEMBL9234683 0.81 ALDH1A1 (0.56) CYP3A4ALDH1A1TSHRMAPK1LMNA
SCHEMBL10444040 0.79 HCAR2 (0.51) ALDH1A1TSHRMAPK1LMNATRPA1
SCHEMBL10444039 0.79 HCAR2 (0.51) ALDH1A1TSHRMAPK1LMNATRPA1
SCHEMBL23914731 0.76 ALDH1A1 (0.55) CYP3A4ALDH1A1TSHRMAPK1LMNA
SCHEMBL23909087 0.72 ALDH1A1 (0.47) CYP3A4ALDH1A1TSHRMAPK1LMNA
SCHEMBL23915344 0.72 ALDH1A1 (0.47) CYP3A4ALDH1A1TSHRMAPK1LMNA
SCHEMBL23909086 0.72 ALDH1A1 (0.47) CYP3A4ALDH1A1TSHRMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652213-B1 Method for producing alkyl 3-phthalidylideneacetate SUMIKA FINE CHEMICALS CO LTD (JP) 1997-08-27 — — EP claimed
US-5508446-A Method for producing alkyl 3-phthalidylideneacetate SUMIKA FINE CHEMICALS CO., LTD. (JP) 1996-04-16 — — US claimed
EP-0652213-A1 Method for producing alkyl 3-phthalidylideneacetate SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1995-05-10 — — EP claimed
JP-7173145-A — — None — — JP disclosed
EP-0652213-B1 Method for producing alkyl 3-phthalidylideneacetate SUMIKA FINE CHEMICALS CO LTD (JP) 1997-08-27 — — EP disclosed
EP-0652213-B1 Method for producing alkyl 3-phthalidylideneacetate SUMIKA FINE CHEMICALS CO LTD (JP) 1997-08-27 — — EP disclosed
US-5508446-A Method for producing alkyl 3-phthalidylideneacetate SUMIKA FINE CHEMICALS CO., LTD. (JP) 1996-04-16 — — US disclosed
US-5508446-A Method for producing alkyl 3-phthalidylideneacetate SUMIKA FINE CHEMICALS CO., LTD. (JP) 1996-04-16 — — US disclosed
US-5508446-A Method for producing alkyl 3-phthalidylideneacetate SUMIKA FINE CHEMICALS CO., LTD. (JP) 1996-04-16 — — US disclosed
JP-H07173145-A PRODUCTION OF 3-PHTHALIDYLIDENEACETIC ACID ALKYL ESTER SUMIKA FINE CHEM KK 1995-07-11 — — JP disclosed
EP-0652213-A1 Method for producing alkyl 3-phthalidylideneacetate SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1995-05-10 — — EP disclosed
EP-0652213-A1 Method for producing alkyl 3-phthalidylideneacetate SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1995-05-10 — — EP disclosed
EP-0652213-A1 Method for producing alkyl 3-phthalidylideneacetate SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1995-05-10 — — EP disclosed