SCHEMBL11218126

SCHEMBL11218126

CC(C)(C)c1ccc(C(O)O)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ATP2A2 P16615 1/20 0.33
▸ ATP2A3 Q93084 1/20 0.33
▸ TYR P14679 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MIF P14174 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CA2 P00918 3/20 0.31
▸ CA1 P00915 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL12767970 0.82 LMNA (0.38) ALDH1A1CYP1A2TYRLMNACYP2C9
SCHEMBL18685191 0.72 CHRNA1 (0.38) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL15124072 0.72 ALDH1A1 (0.56) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL12732927 0.72 ALOX15 (0.42) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL19331905 0.71 CNR1 (0.35) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL30931254 0.70 ALDH1A1 (0.43) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL4544654 0.70 ALDH1A1 (0.39) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL11438490 0.70 ALDH1A1 (0.43) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL16951501 0.69 NOTUM (0.42) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL23813103 0.69 XDH (0.39) ALDH1A1SMN1; SMN2CYP1A2MAPTLMNA

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
EP-0052836-A1 Phenoxybenzaldehydes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-02 — — EP disclosed
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