SCHEMBL25844713

SCHEMBL25844713

CCC1(CC)c2cc(C)ccc2-c2c1c1c(c3cc(OC)ccc23)OC(c2ccccc2)(c2ccc(N3CCOCC3)cc2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
ADAM17 P78536 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 3/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL25844717 0.97 ADAM17 (0.34) MAPTSMN1; SMN2TSHRHSD17B10MAPK1
SCHEMBL25844714 0.96 RAB9A (0.34) MAPTSMN1; SMN2TSHRHSD17B10MAPK1
SCHEMBL25844662 0.93 ADAM17 (0.34) MAPTSMN1; SMN2TSHRHSD17B10MAPK1
SCHEMBL25600425 0.93 ADAM17 (0.36) MAPTSMN1; SMN2TSHRHSD17B10MAPK1
SCHEMBL25600424 0.92 RAB9A (0.36) MAPTSMN1; SMN2TSHRHSD17B10MAPK1
SCHEMBL25600548 0.91 ALDH1A1 (0.34) MAPTSMN1; SMN2TSHRHSD17B10MAPK1
SCHEMBL25844668 0.91 ADAM17 (0.35) MAPTSMN1; SMN2TSHRHSD17B10MAPK1
SCHEMBL25600300 0.90 RAB9A (0.35) MAPTSMN1; SMN2TSHRHSD17B10MAPK1
SCHEMBL25844706 0.90 KDM4E (0.30) TSHRHSD17B10KMT2AKDM4EALDH1A1
SCHEMBL25844703 0.90 KDM4E (0.31) TSHRHSD17B10KMT2AKDM4EALDH1A1

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