SCHEMBL11632207

SCHEMBL11632207

CC(COc1ccccc1C(=O)COC1CCCCO1)OC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB1 P08183 9/20 0.38
TSHR P16473 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11628094 0.89 POLB (0.40) ALDH1A1HTTSMN1; SMN2POLBABCB1
SCHEMBL11627980 0.81 MEN1 (0.42) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL11632204 0.77 MEN1 (0.38) ALDH1A1MEN1KMT2ATDP1
SCHEMBL29921398 0.76 HTR1A (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL29921104 0.76 HTR1A (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL14615145 0.73 KMT2A (0.47) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL6300033 0.73 MAPT (0.49) HTTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4776765 0.72 MEN1 (0.52) ALDH1A1MEN1KMT2AKDM4CTDP1
SCHEMBL29920999 0.72 LMNA (0.46) HTTMEN1KMT2A
SCHEMBL11515511 0.71 MEN1 (0.34) MEN1KMT2AKDM4C

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-4092416-A Benzopyrone derivatives exhibiting anti-allergic activity BOEHRINGER MANNHEIM GMBH (DT) 1978-05-30 US disclosed