SCHEMBL9622241

SCHEMBL9622241

COc1ccc(CSC2CCN(CC(O)COc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.45
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.41
USP2 O75604 3/20 0.39
DRD4 P21917 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9622298 0.86 CPT1B (0.53) CPT1BADRB2ADRB1ADRB3MAPT
SCHEMBL9622863 0.85 CPT1B (0.57) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9015969 0.85 CPT1B (0.58) CPT1BMAPTMEN1KMT2ATP53
SCHEMBL9622843 0.84 CPT1B (0.46) CPT1BMEN1KMT2AGAAKDM4E
SCHEMBL9622223 0.84 CPT1B (0.56) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9366603 0.82 CPT1B (0.55) CPT1BMAPTMEN1KMT2AGAA
SCHEMBL9622860 0.81 CPT1B (0.50) CPT1BMEN1KMT2AGAAKDM4E
SCHEMBL9622237 0.79 CPT1B (0.54) CPT1BMAPTMEN1KMT2AGAA
SCHEMBL9623012 0.79 CPT1B (0.56) CPT1BMAPTMEN1KMT2AGAA
SCHEMBL9623027 0.78 CPT1B (0.74) CPT1BMEN1KMT2AGAAKDM4E

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-5126356-A Antiischemic agents ADIR ET COMPAGNIE (FR) 1992-06-30 US disclosed