SCHEMBL7688201

SCHEMBL7688201

COC(=O)Cc1[c]c(C)ccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
POLB P06746 3/20 0.39
HSP90AB1 P08238 1/20 0.38
SLC7A5 Q01650 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.36
KDM4E B2RXH2 5/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL7494199 0.89 CYP4F2 (0.44) CYP4F2CYP4A11POLBHSP90AB1SLC7A5
SCHEMBL7221306 0.83 ALDH1A1 (0.41) POLBSMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL7228110 0.79 AKR1B1 (0.40) SMN1; SMN2KDM4EKMT2ATP53ALDH1A1
SCHEMBL1443509 0.76 CYP4F2 (0.41) CYP4F2CYP4A11POLBHSP90AB1SMN1; SMN2
SCHEMBL1234999 0.70 CYP4F2 (0.39) CYP4F2CYP4A11HSP90AB1SMN1; SMN2KDM4E
SCHEMBL2687097 0.69 EGFR (0.45) CYP4F2CYP4A11POLBHSP90AB1SLC7A5
SCHEMBL16390828 0.69 MAPT (0.43) POLBSMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL5841237 0.69 MCL1 (0.37) POLBSMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL8026225 0.68 CA1 (0.45) CYP4F2CYP4A11POLBSMN1; SMN2KDM4E
Methyl Alcohol SCHEMBL3396251 0.67 ALDH1A1 (0.61) CYP4F2CYP4A11HSP90AB1SLC7A5SMN1; SMN2

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-6337423-B1 BIND TO VOLTAGE-GATED SODIUM ION CHANNELS TO MODULATE ACTIVITY ADVANCED MEDICINE, INC. 2002-01-08 US disclosed