SCHEMBL31390486

SCHEMBL31390486

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.52
HTT P42858 4/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A1 P04798 1/20 0.47
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL31390487 0.86 MEN1 (0.56) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL31390494 0.85 MEN1 (0.55) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL861426 0.78 MEN1 (0.56) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL3242109 0.77 KMT2A (0.58) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL24805412 0.77 POLB (0.70) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL14731447 0.74 MEN1 (0.53) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL31390473 0.73 MEN1 (0.53) MEN1KMT2A
SCHEMBL3229329 0.73 NPC1 (0.64) KMT2APOLBALDH1A1MAPTRAB9A
SCHEMBL5331532 0.73 ALDH1A1 (0.68) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL860798 0.71 TPSAB1 (0.54) MEN1KMT2APOLBHTTALDH1A1

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