SCHEMBL7446833

SCHEMBL7446833

CCCCOc1ccc2c(c1)OCC(C(O)CN)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 4/20 0.39
MAOA P21397 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
DPP4 P27487 1/20 0.38
CA5A P35218 1/20 0.38
ADRA1A P35348 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL7436820 0.85 LMNA (0.45) MAPTADRB2ADRB1ADRB3KMT2A
SCHEMBL7430118 0.82 TAAR1 (0.40) KMT2A
SCHEMBL7437379 0.81 MAOA (0.35) MAPTTHRBKDM4ERAB9ASMN1; SMN2
SCHEMBL7446515 0.80 MTNR1A (0.48) MAPTKMT2AMEN1SMN1; SMN2ADRA1A
SCHEMBL7440201 0.79 ADRB2 (0.38) MAPTADRB2ADRB1ADRB3THRA
SCHEMBL7445352 0.78 CA2 (0.40) MAPTKMT2AKDM4ESMN1; SMN2CA2
SCHEMBL7434182 0.77 TAS1R3 (0.31) MAPTSMN1; SMN2
SCHEMBL7435505 0.77 PNMT (0.36) MAPTTHRBKMT2AKDM4EMEN1
SCHEMBL10993141 0.76 KMT2A (0.39) MAPTTHRATHRBKMT2AMEN1
SCHEMBL7438907 0.76 CA2 (0.46) MAPTKMT2AKDM4EMEN1SMN1; 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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed