SCHEMBL28354000

SCHEMBL28354000

CC(C)(C)OC(=O)C=Cc1ccccc1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 10/20 0.53
▸ PTGER2 P43116 9/20 0.53
▸ PTGDR Q13258 5/20 0.53
▸ TBXA2R P21731 4/20 0.53
▸ PTGER4 P35408 7/20 0.48
▸ PTGFR P43088 3/20 0.48
▸ PTGER1 P34995 3/20 0.47
▸ PTGIR P43119 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ TBXAS1 P24557 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL28517659 0.89 LMNA (0.45) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL28517655 0.89 LMNA (0.45) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL18069237 0.85 LMNA (0.53) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL30782971 0.85 LMNA (0.53) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL5474591 0.82 LMNA (0.53) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL5474595 0.82 LMNA (0.53) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL20920563 0.82 LMNA (0.50) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL7110907 0.80 LMNA (0.46) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL5468473 0.79 LMNA (0.49) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL5457635 0.79 CA1 (0.51) PTGER3PTGER2PTGDRTBXA2RPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110668940-A Synthesis method of alpha, beta-unsaturated carboxylic ester derivative by visible light catalysis 浙江工业大学 2020-01-10 — — CN disclosed
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