SCHEMBL7995256

SCHEMBL7995256

CC(C)(C)OC(=O)CCNC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
SYK P43405 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
FUCA1 P04066 1/20 0.45
PRSS1 P07477 1/20 0.45
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45

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
SCHEMBL11927647 0.99 HTT (0.49) HTTSYKALDH1A1LMNASMN1; SMN2
SCHEMBL6049741 0.91 HTT (0.59) HTTSYKLMNASMN1; SMN2MAPT
SCHEMBL23518513 0.90 SYK (0.52) HTTSYKALDH1A1LMNASMN1; SMN2
SCHEMBL6932926 0.90 ALDH1A1 (0.53) HTTSYKALDH1A1LMNASMN1; SMN2
SCHEMBL25908037 0.90 ALDH1A1 (0.53) HTTSYKALDH1A1LMNASMN1; SMN2
SCHEMBL29055947 0.89 SYK (0.51) HTTSYKALDH1A1LMNASMN1; SMN2
SCHEMBL19384711 0.89 LMNA (0.58) HTTSYKALDH1A1LMNASMN1; SMN2
SCHEMBL30544325 0.88 SYK (0.57) HTTSYKALDH1A1LMNASMN1; SMN2
SCHEMBL29012383 0.87 LMNA (0.56) HTTSYKALDH1A1LMNASMN1; SMN2
SCHEMBL6016839 0.87 SYK (0.57) HTTSYKALDH1A1LMNASMN1; SMN2

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
US-6294549-B1 COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. MERCK & CO., INC. 2001-09-25 US disclosed
US-5952306-A INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND INHIBITING THE AGGREGATION OF BLOOD PLATELETS; INHIBITING OSTEOCLAST CELLULAR ADHESION TO BONE SURFACES MERCK & CO., INC. (US) 1999-09-14 US disclosed