SCHEMBL11220527

SCHEMBL11220527

CCCc1ccc(Cl)c(OC(=O)Oc2cc(CCC)ccc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ACACB O00763 6/20 0.43
CDK8 P49336 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
GAA P10253 2/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL25299267 0.80 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL12841591 0.79 HTR1A (0.48) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL20079748 0.77 LMNA (0.47) NPC1RAB9ASMN1; SMN2MAPTGAA
Bicarbonate SCHEMBL3431862 0.75 PNMT (0.52) SMN1; SMN2MAPTGAAALDH1A1CNR1
SCHEMBL11228541 0.75 ALOX5 (0.45) SMN1; SMN2MAPTTHRBALDH1A1CYP1A2
SCHEMBL2563160 0.74 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL22783730 0.73 KCNH2 (0.44) SMN1; SMN2MAPTALDH1A1CNR1CNR2
SCHEMBL8225538 0.73 PGK1 (0.46) SMN1; SMN2CNR1CNR2
SCHEMBL9588895 0.72 TRPV1 (0.60) NCEH1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL27902483 0.72 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2MAPTCASP3

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
US-4329443-A Process for polyester-carbonate transesterifications GENERAL ELECTRIC COMPANY (US) 1982-05-11 US disclosed
US-4321356-A Transesterification process utilizing as a reactant bis(ortho-haloaryl)carbonates GENERAL ELECTRIC COMPANY (US) 1982-03-23 US disclosed