SCHEMBL9524908

SCHEMBL9524908

CC1(C)CC(c2ccccn2)c2cc(OC(=O)O)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.37
KCNE1 P15382 3/20 0.35
KCNQ1 P51787 3/20 0.35
HIF1A Q16665 5/20 0.35
KDM4E B2RXH2 4/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL9527561 0.84 ABCC9 (0.39) MAPTALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL9524902 0.84 ESR1 (0.42) SMN1; SMN2KDM4EMEN1KMT2AESR1
SCHEMBL8795216 0.82 TRPV1 (0.41) MAPTALDH1A1HTTTAAR1CYP3A4
SCHEMBL9527411 0.81 BRD4 (0.37) SMN1; SMN2KDM4E
SCHEMBL9524371 0.81 KDM4E (0.42) MAPTALDH1A1HTTTAAR1SMN1; SMN2
SCHEMBL9523546 0.81 TGFBR1 (0.39) MAPTALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL9628082 0.79 ABCC9 (0.34) SMN1; SMN2ESR1
SCHEMBL9524954 0.79 BRD4 (0.35) ALDH1A1SMN1; SMN2KDM4EESR1CYP3A4
SCHEMBL9525760 0.78 TRPM5 (0.42) HTTSMN1; SMN2KCNE1KCNQ1LMNA
SCHEMBL9524374 0.78 HTR2B (0.35) MAPTSMN1; SMN2ADRA2A

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-0298452-B1 2H-1-BENZOPYRANE DERIVATIVES SUBSTITUTED IN POSITION 4 BY ARYL OR N-HETEROARYL F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP disclosed
EP-0298452-A2 2H-1-benzopyrane derivatives substituted in position 4 by aryl or N-heteroaryl F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed