SCHEMBL9301504

SCHEMBL9301504

CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1OCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TSHR P16473 4/20 0.39
MAPK1 P28482 3/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
MEN1 O00255 2/20 0.39
ALOX15 P16050 2/20 0.39
BLM P54132 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 2/20 0.39
HIF1A Q16665 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GMNN O75496 1/20 0.39
GABBR2 O75899 1/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
PMP22 Q01453 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
SCHEMBL18476024 0.82 MAPT (0.47) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL14204866 0.76 ESRRA (0.40) LMNANPSR1GAASMN1; SMN2VCAM1
SCHEMBL5968095 0.75 CA2 (0.48) ALDH1A1TSHRGAAKDM4ESMN1; SMN2
SCHEMBL6091196 0.74 CYP3A4 (0.32) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL2298328 0.74 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL42656 0.74 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL27647600 0.72 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1LMNACYP1A2
Alcohol SCHEMBL9286265 0.71 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1LMNACYP1A2
Boric Acid SCHEMBL28025581 0.69 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1LMNACYP1A2
SCHEMBL6565876 0.69 TNKS2 (0.39) ALDH1A1TSHRMAPK1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5364974-A Tetramethylmethylenediamine catalyst STERLITAMAXKY NEFTEKHIMICHESKY ZAVOD (RU) 1994-11-15 US claimed
US-5364974-A Tetramethylmethylenediamine catalyst STERLITAMAXKY NEFTEKHIMICHESKY ZAVOD (RU) 1994-11-15 US disclosed
US-5364974-A Tetramethylmethylenediamine catalyst STERLITAMAXKY NEFTEKHIMICHESKY ZAVOD (RU) 1994-11-15 US disclosed
US-5364974-A Tetramethylmethylenediamine catalyst STERLITAMAXKY NEFTEKHIMICHESKY ZAVOD (RU) 1994-11-15 US disclosed