SCHEMBL25844700

SCHEMBL25844700

COc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c4c(c5ccc(OC)cc5c3O2)-c2ccc(C)cc2C4(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.34
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HTT P42858 3/20 0.33
RAB9A P51151 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADAM17 P78536 1/20 0.33
PRKDC P78527 3/20 0.33
HPGD P15428 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
NPC1 O15118 1/20 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
SCHEMBL25844702 0.99 ALK (0.35) ALKMAPTSMN1; SMN2KMT2ATSHR
SCHEMBL25844698 0.96 MAPT (0.34) ALKMAPTSMN1; SMN2KMT2ATSHR
SCHEMBL30708906 0.95 RAB9A (0.35) ALKMAPTSMN1; SMN2KMT2ATSHR
SCHEMBL3700110 0.95 RAB9A (0.35) ALKMAPTSMN1; SMN2KMT2ATSHR
SCHEMBL25844759 0.94 AKT1 (0.33) ALKMAPTSMN1; SMN2KMT2ATSHR
SCHEMBL25844140 0.94 AKT1 (0.33) ALKMAPTSMN1; SMN2KMT2AMAPK1
SCHEMBL25844449 0.93 MAPT (0.35) ALKMAPTSMN1; SMN2KMT2AMAPK1
SCHEMBL26668128 0.92 HTR3A (0.38) MAPTSMN1; SMN2KMT2ATSHRHSD17B10
SCHEMBL25844767 0.91 MEN1 (0.35) ALKKMT2ARAB9APRKDCMEN1
SCHEMBL18091462 0.91 MAPT (0.34) ALKMAPTSMN1; SMN2KMT2ATSHR

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-20230227717-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-07-20 US disclosed