SCHEMBL11438484

SCHEMBL11438484

CC(C)COc1ccc(C(C)(C)C)cc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ KLF10 Q13118 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ VDR P11473 4/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ DHFR P00374 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ FOS P01100 1/20 0.38
▸ JUN P05412 1/20 0.38
▸ PTGER1 P34995 1/20 0.38

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
SCHEMBL3207839 0.78 MEN1 (0.46) L3MBTL1ATMALDH1A1KLF10MAPT
SCHEMBL799834 0.78 ESR1 (0.46) GAAKLF10MAPTCYP2C19HTT
SCHEMBL15054484 0.78 PTGDR2 (0.58) ALDH1A1GAAHIF1AMAPTTHRB
SCHEMBL20347962 0.78 ALDH1A1 (0.44) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL4720675 0.78 MAPT (0.58) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL21140985 0.76 LMNA (0.41) L3MBTL1ATMALDH1A1GAAHIF1A
SCHEMBL768907 0.76 MRGPRX4 (0.52) L3MBTL1MAPTHTTPTGER1
SCHEMBL2529268 0.75 TRPV1 (0.43) L3MBTL1ATMALDH1A1GAAMAPT
SCHEMBL16172612 0.75 VDR (0.54) VDRAR
SCHEMBL15054725 0.75 FOS (0.41) ALDH1A1GAAHIF1AMAPTTHRB

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-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 — — US disclosed
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