SCHEMBL30945733

SCHEMBL30945733

CC(C)(C)c1ccc2c(OC(=O)C3CC=CCC3C(=O)O)c3ccccc3c(OC(=O)C3CC=CCC3C(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ TDP1 Q9NUW8 5/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ HSD17B10 Q99714 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ POLB P06746 6/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ SSTR5 P35346 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
SCHEMBL28894981 1.00 ALDH1A1 (0.46) ALDH1A1TDP1KMT2ASMN1; SMN2MEN1
SCHEMBL28895021 0.96 ALDH1A1 (0.49) ALDH1A1TDP1KMT2ASMN1; SMN2MEN1
SCHEMBL28894353 0.89 KMT2A (0.41) ALDH1A1TDP1KMT2ASMN1; SMN2MEN1
SCHEMBL29962997 0.89 KMT2A (0.41) ALDH1A1TDP1KMT2ASMN1; SMN2MEN1
SCHEMBL28894518 0.89 ALDH1A1 (0.43) ALDH1A1TDP1KMT2ASMN1; SMN2MEN1
SCHEMBL29963893 0.86 SLC6A2 (0.40) ALDH1A1TDP1KMT2ASMN1; SMN2MEN1
SCHEMBL29963187 0.86 SLC6A2 (0.40) ALDH1A1TDP1KMT2ASMN1; SMN2MEN1
SCHEMBL30945716 0.85 CA1 (0.35) ALDH1A1TDP1KMT2ASMN1; SMN2MEN1
SCHEMBL28895040 0.85 CA1 (0.35) ALDH1A1TDP1KMT2ASMN1; SMN2MEN1
SCHEMBL28894713 0.84 TSHR (0.49) ALDH1A1TDP1KMT2ASMN1; SMN2MEN1

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
CN-115380075-B Epoxy resin composition for sealing semiconductor 纳美仕有限公司 2024-06-18 — — CN disclosed
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