SCHEMBL11682808

SCHEMBL11682808

CCC(CO)C(C)C(N)=O.CCCC(CO)C(CC)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
METAP1 P53582 1/20 0.31

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
SCHEMBL27352539 0.82 CA1 (0.43) LMNACA1CA2TSHRCHRM1
SCHEMBL7620669 0.75 CA1 (0.35) LMNACA1CA2TSHRMETAP1
SCHEMBL7620410 0.73 CA1 (0.34) LMNACA1CA2TSHRMETAP1
SCHEMBL7622190 0.73 CA1 (0.34) LMNACA1CA2TSHRMETAP1
SCHEMBL7629340 0.73 CA1 (0.34) LMNACA1CA2TSHRMETAP1
SCHEMBL9080365 0.73 TSHR (0.35) LMNACA1CA2TSHRTDP1
SCHEMBL27522290 0.73 CA1 (0.39) LMNACA1CA2TSHR
SCHEMBL21609358 0.73 SLC7A5 (0.34) CA1CA2TSHRADRA1A
SCHEMBL7624156 0.72 LMNA (0.44) LMNACA1CA2
SCHEMBL7623699 0.72 LMNA (0.44) LMNACA1CA2

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-4054569-A CNS DEPRESSANTS, ANTICONVULSIVES, ANTIINFLAMMATORY AYERST MCKENNA & HARRISON LTD. (CA) 1977-10-18 US disclosed
US-3985751-A CNS DEPRESSANTS, ANTICONVULSANT AND ANTIINFLAMMATORY AGENTS AYERST MCKENNA AND HARRISON LTD. (CA) 1976-10-12 US disclosed