SCHEMBL25844717

SCHEMBL25844717

CCC1(CC)c2cc(C)ccc2-c2c1c1c(c3cc(OC)ccc23)OC(c2ccc(N3CCOCC3)cc2)(c2ccc(N3CCOCC3)cc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL25844714 0.99 RAB9A (0.34) ADAM17L3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL25844713 0.97 MAPT (0.33) ADAM17L3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL25600425 0.95 ADAM17 (0.36) ADAM17L3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL25600424 0.95 RAB9A (0.36) ADAM17L3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL26668544 0.93 L3MBTL1 (0.32) ADAM17L3MBTL1
SCHEMBL25844668 0.91 ADAM17 (0.35) ADAM17L3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL25718166 0.90 ADAM17 (0.33) ADAM17L3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL25600300 0.90 RAB9A (0.35) ADAM17L3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL25844702 0.90 ALK (0.35) ADAM17L3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL25844708 0.90 KDM4E (0.32) TSHRKMT2AHSD17B10KDM4EALDH1A1

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