SCHEMBL7733340

SCHEMBL7733340

CCC(NC(C)=O)c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.60
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ACACB O00763 1/20 0.54
GPR88 Q9GZN0 2/20 0.52
LMNA P02545 1/20 0.50
PDE2A O00408 6/20 0.49
PKM P14618 1/20 0.49
KCNA5 P22460 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL8582402 0.87 GPR88 (0.63) FAAHTAS1R3TAS1R1MEN1KMT2A
SCHEMBL7824324 0.84 KMT2A (0.63) MEN1KMT2AACACBGPR88NPSR1
SCHEMBL14335380 0.81 MEN1 (0.51) FAAHTAS1R3TAS1R1MEN1KMT2A
SCHEMBL185572 0.81 ALDH1A1 (0.68) TAS1R3TAS1R1MEN1KMT2AACACB
SCHEMBL7736428 0.80 MEN1 (0.50) FAAHTAS1R3TAS1R1MEN1KMT2A
SCHEMBL7723794 0.80 MEN1 (0.50) FAAHTAS1R3TAS1R1MEN1KMT2A
SCHEMBL7081080 0.79 ALDH1A1 (0.49) FAAHTAS1R3TAS1R1MEN1KMT2A
SCHEMBL8403294 0.79 ALDH1A1 (0.53) TAS1R3TAS1R1MEN1KMT2AACACB
SCHEMBL1697588 0.79 CYP1A2 (0.65) MEN1KMT2AACACBLMNAPKM
SCHEMBL8398268 0.79 ALDH1A1 (0.53) TAS1R3TAS1R1MEN1KMT2AACACB

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-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 WO disclosed