SCHEMBL31390487

SCHEMBL31390487

COC(=O)CCCCCCC(=O)Nc1ccc(CNC(=O)CCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.54
HDAC8 Q9BY41 1/20 0.53
HTT P42858 3/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
EPHX2 P34913 1/20 0.49
PTPRC P08575 2/20 0.48
PTPN13 Q12923 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL31390486 0.86 MEN1 (0.55) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL31390494 0.86 MEN1 (0.55) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL31390473 0.86 MEN1 (0.53) MEN1KMT2AHDAC8EPHX2PTPRC
SCHEMBL24881437 0.83 HDAC8 (0.58) MEN1KMT2AHDAC8HTTALDH1A1
SCHEMBL31635262 0.82 L3MBTL1 (0.69) MEN1KMT2AHDAC8HTTALDH1A1
SCHEMBL1232792 0.81 MEN1 (0.78) MEN1KMT2AALDH1A1EPHX2SMN1; SMN2
SCHEMBL1163649 0.81 NAMPT (0.55) MEN1KMT2AHDAC8HTTALDH1A1
SCHEMBL16205825 0.81 CYP3A4 (0.67) MEN1KMT2AHDAC8HTTALDH1A1
SCHEMBL14328271 0.80 HDAC8 (0.70) MEN1KMT2AHDAC8HTTALDH1A1
SCHEMBL3002599 0.80 HDAC8 (0.61) MEN1KMT2AHDAC8HTTALDH1A1

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-2025041160-A1 BIFUNCTIONAL CONJUGATE MOLECULES FOR CANCER TREATMENT AND PROCESS OF MAKING THE SAME BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE (BITS), PILANI (IN) 2025-02-27 WO disclosed