SCHEMBL29418983

SCHEMBL29418983

CC(C)(c1ccc(O)cc1)c1c(N2C(=O)C=CC2=O)c(N2C(=O)C=CC2=O)c(O)c(N2C(=O)C=CC2=O)c1N1C(=O)C=CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 8/20 0.46
▸ ESR2 Q92731 8/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ ESRRG P62508 2/20 0.46
▸ AR P10275 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MGLL Q99685 3/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.37

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
SCHEMBL9516982 0.77 MGLL (0.71) ESR1ESR2CYP3A4ESRRGAR
SCHEMBL8611954 0.71 ESR1 (0.47) ESR1ESR2CYP3A4ESRRGAR
SCHEMBL28029844 0.70 MGLL (0.71) ESR1ESR2CYP3A4ESRRGAR
SCHEMBL22862089 0.70 MGLL (0.71) ESR1ESR2CYP3A4ESRRGAR
SCHEMBL2412811 0.66 MGLL (0.65) MGLLHSP90AA1PKMMAPK1NPSR1
SCHEMBL3185260 0.66 MGLL (0.65) MGLLHSP90AA1PKMMAPK1NPSR1
SCHEMBL27996 0.66 ESR1 (1.00) ESR1ESR2CYP3A4ESRRGAR
Bisphenol A SCHEMBL8058731 0.66 ESR1 (1.00) ESR1ESR2CYP3A4ESRRGAR
Bisphenol A SCHEMBL3170263 0.66 ESR1 (1.00) ESR1ESR2CYP3A4ESRRGAR
SCHEMBL15868669 0.66 ESR1 (1.00) ESR1ESR2CYP3A4ESRRGAR

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-114249896-A Allyl-terminated aryl sulfone ether polymer and preparation method thereof 兰溪聪普新材料有限公司 2022-03-29 — — CN disclosed
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