SCHEMBL7429267

SCHEMBL7429267

CC(C)Oc1ccc(OBOc2ccc(OC(C)C)cc2Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.44
RORC P51449 1/20 0.43
ALDH1A1 P00352 2/20 0.40
ACACB O00763 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38
FFAR1 O14842 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
BRD4 O60885 1/20 0.37
BRPF1 P55201 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
KMO O15229 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL4012282 0.86 CSNK2A1 (0.51) CSNK2A1RORCKMT2AKDM4ELMNA
SCHEMBL19612249 0.85 CSNK2A1 (0.58) CSNK2A1RORCALDH1A1ACACBKMT2A
SCHEMBL1277797 0.79 CA12 (0.48) ALDH1A1KMT2AMAPT
SCHEMBL9255317 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4ELMNAGAA
SCHEMBL14664951 0.76 CSNK2A1 (0.49) CSNK2A1RORCKMT2AGLAKDM4E
SCHEMBL8417 0.75 ALDH1A1 (0.40) ALDH1A1KMT2AGLAPARP10BRD4
SCHEMBL3140756 0.75 RXRA (0.43) ALDH1A1KMT2AGLAPARP10BRD4
SCHEMBL14257716 0.73 CSNK2A1 (0.43) CSNK2A1RORCALDH1A1ACACBKMT2A
SCHEMBL8959042 0.73 CSNK2A1 (0.50) CSNK2A1RORCGLAKDM4EHPGD
SCHEMBL3721647 0.73 LMNA (0.53) ALDH1A1KMT2AKDM4ELMNAGAA

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
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 EP disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO disclosed