SCHEMBL23720977

SCHEMBL23720977

COc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(C)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 3/20 0.53
ELANE P08246 2/20 0.53
GAA P10253 1/20 0.53
ACHE P22303 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL27947111 0.93 KMT2A (0.68) SMN1; SMN2HTTKMT2ATDP1LMNA
SCHEMBL2741099 0.93 KMT2A (0.68) SMN1; SMN2HTTKMT2ATDP1LMNA
SCHEMBL3760925 0.93 KMT2A (0.68) SMN1; SMN2HTTKMT2ATDP1ELANE
SCHEMBL24605352 0.93 KMT2A (0.68) SMN1; SMN2HTTKMT2ATDP1LMNA
SCHEMBL12536537 0.93 KMT2A (0.68) SMN1; SMN2HTTKMT2ATDP1ELANE
SCHEMBL12370833 0.93 KMT2A (0.68) SMN1; SMN2HTTKMT2ATDP1LMNA
SCHEMBL13612593 0.90 HTT (0.59) SMN1; SMN2HTTKMT2ATDP1LMNA
SCHEMBL21185911 0.88 HTT (0.61) SMN1; SMN2HTTKMT2ATDP1LMNA
SCHEMBL25870585 0.88 KMT2A (0.61) SMN1; SMN2HTTKMT2ATDP1ELANE
SCHEMBL24293827 0.87 HTT (0.56) SMN1; SMN2HTTKMT2ATDP1LMNA

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
EP-3858885-A1 COMPOSITION FOR FORMING HEAT CONDUCTIVE MATERIALS, HEAT CONDUCTIVE MATERIAL, HEAT CONDUCTIVE SHEET, DEVICE WITH HEAT CONDUCTIVE LAYER, AND FILM FUJIFILM Corporation (JP) 2021-08-04 EP disclosed