SCHEMBL22454743

SCHEMBL22454743

CC(C)(C)C(C)(C(=O)Oc1ccc(O)c2ccccc12)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 11/20 0.46
▸ ESR2 Q92731 11/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ IDO1 P14902 3/20 0.42
▸ POLB P06746 1/20 0.41
▸ CHEK1 O14757 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL18785662 0.87 ELANE (0.53) ESR1ESR2MEN1KMT2AGAA
SCHEMBL11991239 0.81 ESR1 (0.44) ESR1ESR2MEN1KMT2AGAA
SCHEMBL8737835 0.81 ESR1 (0.44) ESR1ESR2MEN1KMT2AGAA
SCHEMBL13161550 0.81 ESR1 (0.41) ESR1ESR2MEN1KMT2AGAA
SCHEMBL18671905 0.79 ESR1 (0.42) ESR1ESR2MEN1KMT2AGAA
Methylsulfanylmethane SCHEMBL5636396 0.78 ESR1 (0.44) ESR1ESR2MEN1KMT2AGAA
SCHEMBL27842430 0.78 ESR1 (0.53) ESR1ESR2MEN1KMT2AGAA
SCHEMBL15189296 0.77 ESR1 (0.40) ESR1ESR2MEN1KMT2AGAA
SCHEMBL18785883 0.77 ESR1 (0.57) ESR1ESR2MEN1KMT2AGAA
SCHEMBL14220068 0.76 ESR1 (0.49) ESR1ESR2MEN1KMT2AGAA

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
US-20200301275-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-09-24 — — US disclosed
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