SCHEMBL14301487

SCHEMBL14301487

CC(=O)c1cc(C(C)(C)c2ccc(O)cc2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.55
▸ ESR2 Q92731 3/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ AR P10275 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ SLC6A4 P31645 1/20 0.55
▸ HTR6 P50406 1/20 0.55
▸ ESRRG P62508 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.48
▸ KLF10 Q13118 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TYR P14679 1/20 0.41

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
SCHEMBL13609958 0.95 ESR1 (0.53) ESR1ESR2CYP3A4HPGDAR
SCHEMBL11653228 0.88 ESR1 (0.52) ESR1ESR2CYP3A4HPGDAR
SCHEMBL31240951 0.88 ESR1 (0.52) ESR1ESR2CYP3A4HPGDAR
SCHEMBL95477 0.86 CA1 (0.58) ESR1ESR2CYP3A4HPGDAR
SCHEMBL13856749 0.84 ESR1 (0.57) ESR1ESR2CYP3A4HPGDAR
SCHEMBL13135102 0.84 ALDH1A1 (0.53) ESR1CYP3A4HPGDARSLC6A2
SCHEMBL4397432 0.82 CA12 (0.65) ESR1ESR2CYP3A4HPGDAR
SCHEMBL6581882 0.82 HSP90AA1 (0.60) HPGDHSD17B10ALDH1A1HSP90AA1HSP90AB1
SCHEMBL13609970 0.81 ESR1 (0.43) ESR1CYP3A4HPGDHSD17B10ALDH1A1
SCHEMBL10464291 0.80 CSNK2A1 (0.55) ESR1ESR2CYP3A4HPGDAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838979-A1 MELT POLYCARBONATE WITH IMPROVED OPTICAL PROPERTIES Covestro Deutschland AG (DE) 2021-06-23 — — EP disclosed
WO-2008021673-A1 POLYSILOXANE COPOLYMERS,THERMOPLASTIC COMPOSITION, AND ARTICLES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-02-21 — — WO disclosed
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