SCHEMBL1699518

SCHEMBL1699518

CC1CC(=O)c2ccccc2C1.CCOC(=O)C(OCc1ccc(OC)cc1)c1c(C)cc2ccccc2c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
HKDC1 Q2TB90 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 2/20 0.35
CCR6 P51684 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1699498 0.86 PSEN1 (0.44) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL1699290 0.75 L3MBTL1 (0.38) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL10272103 0.75 MAPT (0.39) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL1699312 0.75 ALOX15 (0.39) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1699428 0.75 MAPT (0.39) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL1699478 0.70 CCR2 (0.39) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1699519 0.70 KMT2A (0.38) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL1699600 0.68 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL1699658 0.66 ADORA3 (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1699727 0.66 CCR2 (0.41) MEN1KMT2AKDM4EMAPTL3MBTL1

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-2588450-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed