SCHEMBL24533728

SCHEMBL24533728

CC(C)(O)c1ccc(OCCCCCOc2ccc(C(C)(C)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.61
GAA P10253 1/20 0.50
NR5A1 Q13285 1/20 0.50
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PRMT1 Q99873 3/20 0.46
F2 P00734 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
PLAU P00749 1/20 0.46
PRMT5 O14744 1/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
TMPRSS2 O15393 1/20 0.46
PTP4A3 O75365 1/20 0.46
SLC22A3 O75751 1/20 0.46
F10 P00742 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
SCHEMBL9476152 0.90 HRH3 (0.59) HRH3GAANR5A1CYP3A4SMN1; SMN2
SCHEMBL21483751 0.86 HRH3 (0.56) HRH3CYP3A4SMN1; SMN2PSMB1PSMB5
SCHEMBL18905500 0.86 HRH3 (0.56) HRH3CYP3A4SMN1; SMN2PSMB1PSMB5
SCHEMBL19687568 0.86 SMN1; SMN2 (0.66) HRH3GAACYP3A4SMN1; SMN2PSMB1
SCHEMBL24533712 0.86 HRH3 (0.55) HRH3CYP3A4SMN1; SMN2PSMB1PSMB5
SCHEMBL25575420 0.86 HRH3 (0.52) HRH3NR5A1
SCHEMBL22463814 0.84 HRH3 (0.51) HRH3CYP3A4SMN1; SMN2PSMB1PSMB5
SCHEMBL22248703 0.83 HRH3 (0.65) HRH3GAANR5A1SMN1; SMN2
SCHEMBL27329955 0.81 HRH3 (0.51) HRH3CYP3A4SMN1; SMN2PSMB1PSMB5
SCHEMBL11547049 0.81 NQO1 (0.61) HRH3SMN1; SMN2ADRA2A

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-4258056-A2 ALCOHOL COMPOUND, CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-11 EP disclosed
US-20220197140-A1 ALCOHOL COMPOUND, CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-06-23 US disclosed