SCHEMBL8848929

SCHEMBL8848929

CC(=O)N(C)Cc1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
RIPK1 Q13546 3/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD11B1 P28845 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
AOC3 Q16853 6/20 0.34
MTOR P42345 1/20 0.34
ACHE P22303 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33

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
SCHEMBL11682414 0.73 CHRNA1 (0.41) ACHE
SCHEMBL9577875 0.71 HTR2C (0.41) HSD11B1
SCHEMBL11461500 0.70 CHRNA1 (0.40)
SCHEMBL11684978 0.70 HTR2A (0.41) HSD11B1
SCHEMBL11686171 0.70 SLC6A2 (0.44) ALDH1A1KMT2A
SCHEMBL9824208 0.70 RIPK1 (0.64) RIPK1ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL10486440 0.69 HTR1A (0.36) SMN1; SMN2
SCHEMBL10548675 0.68 KDM1A (0.45)
SCHEMBL13114705 0.68 HSP90AA1 (0.56) PDK2ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL19049387 0.68 HSD17B2 (0.61) HSD17B1HSD17B2

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
JP-9077756-A None JP disclosed
JP-H0977756-A PRODUCTION OF STYRENE OXIDE DERIVATIVE IDEMITSU KOSAN CO LTD 1997-03-25 JP disclosed