SCHEMBL11836694

SCHEMBL11836694

CCOC(=O)C(O)c1ccc(-c2ccccc2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ MMP8 P22894 1/20 0.41
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ PIN1 Q13526 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38

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
SCHEMBL11835254 0.85 PPARG (0.46) ALDH1A1MMP8PIN1SMN1; SMN2MEN1
SCHEMBL11836053 0.84 ALDH1A1 (0.44) ALDH1A1HSD17B10MMP8HDAC3HDAC4
SCHEMBL11847061 0.84 MMP8 (0.39) ALDH1A1MMP8PIN1SMN1; SMN2MEN1
SCHEMBL11836617 0.84 CA12 (0.42) ALDH1A1HSD17B10MMP8PIN1SMN1; SMN2
SCHEMBL11845881 0.83 LTA4H (0.42) ALDH1A1HSD17B10SMN1; SMN2NPC1KMT2A
SCHEMBL11790207 0.83 CASP1 (0.47) ALDH1A1MMP8SMN1; SMN2MEN1KMT2A
SCHEMBL11837748 0.83 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL11846077 0.83 MMP8 (0.41) ALDH1A1MMP8PIN1SMN1; SMN2MEN1
SCHEMBL11839726 0.82 PPARG (0.47) ALDH1A1HSD17B10SMN1; SMN2MEN1NPC1
SCHEMBL11835794 0.82 PTPRC (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 — — US disclosed
Send feedback