SCHEMBL27349991

SCHEMBL27349991

CCC(COCC(=O)NC(C)(C)C)(COCC(=O)N(C1CCCCCCC1)C(C)(C)C)COCC(=O)N(C1CCCCCCC1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GALR3 O60755 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL2582061 0.76 KMT2A (0.44) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL27349992 0.73 ALDH1A1 (0.49) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL2579241 0.67 KMT2A (0.38) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL2757959 0.65 TSHR (0.43) SMN1; SMN2MEN1KMT2AMAPTPOLB
SCHEMBL9761192 0.64 KMT2A (0.44) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL27349878 0.64 KMT2A (0.39) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL24435393 0.63 ALDH1A1 (0.36) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A
SCHEMBL24435397 0.63 ALDH1A1 (0.36) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A
SCHEMBL24435391 0.63 ALDH1A1 (0.36) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A
SCHEMBL3828565 0.63 TSHR (0.47) SMN1; SMN2MEN1KMT2AMAPTPOLB

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
WO-2024028786-A1 METHOD FOR SELECTIVELY EXTRACTING A SALT TO BE EXTRACTED FROM SALTWATER OR BRINE ADIONICS (FR) 2024-02-08 — — WO disclosed
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