SCHEMBL11520481

SCHEMBL11520481

COc1ccc(C2CC2(C(C)C(=O)O)C(C)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
LDHA P00338 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
PPARA Q07869 2/20 0.40
CYP2C9 P11712 1/20 0.40
BLM P54132 1/20 0.40
EDNRA P25101 2/20 0.40
EDNRB P24530 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL11519546 0.82 KDM1A (0.44)
SCHEMBL28308490 0.80 KMT2A (0.41) MEN1RAB9AKMT2ALDHALMNA
Bicarbonate SCHEMBL10974641 0.76 MEN1 (0.50) MEN1RAB9AKMT2ALMNATSHR
SCHEMBL11834256 0.75 GAA (0.39) MEN1RAB9AKMT2ALDHALMNA
SCHEMBL31414038 0.74 MEN1 (0.49) MEN1RAB9AKMT2ALMNATSHR
SCHEMBL29776873 0.71 MEN1 (0.46) MEN1RAB9AKMT2ALMNATSHR
SCHEMBL28524760 0.70 RAB9A (0.48) MEN1RAB9AKMT2ALMNATSHR
SCHEMBL7070199 0.70 KMT2A (0.45) MEN1RAB9AKMT2ALMNATSHR
SCHEMBL13888944 0.69 MAOB (0.50) MEN1RAB9AKMT2ACYP2C9ALDH1A1
SCHEMBL12188964 0.69 MAOB (0.50) MEN1RAB9AKMT2ACYP2C9ALDH1A1

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-4154952-A REACTING ALDEHYDES, METHYLENE COMPOUND, A SULFUR-CONTAINING HALIDE, AN INERT ORGANIC SOLVENT AND A STRONG BASE SCHULTZ HARRY W 1979-05-15 US disclosed