SCHEMBL500529

SCHEMBL500529

COCCOC(C)C(CN1CCCC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL500153 0.73 MEN1 (0.45) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL23898801 0.71 ALDH1A1 (0.43) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL23886210 0.71 ALDH1A1 (0.43) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL25191941 0.71 ALDH1A1 (0.43) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL500530 0.70 ALDH1A1 (0.39) ALDH1A1TDP1POLBKDM4ESMN1; SMN2
SCHEMBL6332192 0.70 ALDH1A1 (0.37) ALDH1A1TDP1POLBKDM4E
SCHEMBL25264913 0.70 ALDH1A1 (0.42) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL25187516 0.70 ALDH1A1 (0.42) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL500327 0.69 ALDH1A1 (0.58) ALDH1A1USP2TSHRKDM4ESMN1; SMN2
SCHEMBL28601522 0.68 SLC6A4 (0.42) ALDH1A1TDP1POLBMEN1KMT2A

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-8105760-B2 Patterning process and pattern surface coating composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20090053657-A1 PATTERNING PROCESS AND PATTERN SURFACE COATING COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-02-26 US disclosed