SCHEMBL28760071

SCHEMBL28760071

NC(=O)CCCCCC(=O)N1C(=O)C=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.43
PTGS2 P35354 4/20 0.43
MAPK1 P28482 3/20 0.35
FAAH O00519 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
MGLL Q99685 2/20 0.35
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL22092274 0.88 PTGS1 (0.33) PTGS1PTGS2MAPK1FAAHALDH1A1
SCHEMBL22468785 0.82 PTGS1 (0.50) PTGS1PTGS2FAAHALDH1A1MGLL
SCHEMBL27524906 0.82 PTGS1 (0.50) PTGS1PTGS2FAAHALDH1A1MGLL
SCHEMBL7738969 0.82 PTGS1 (0.50) PTGS1PTGS2FAAHALDH1A1MGLL
SCHEMBL27657704 0.82 PTGS1 (0.50) PTGS1PTGS2FAAHALDH1A1MGLL
SCHEMBL22468787 0.80 PTGS1 (0.47) PTGS1PTGS2FAAHALDH1A1MGLL
SCHEMBL15003745 0.77 ALOX15 (0.34) PTGS1PTGS2MAPK1FAAHMGLL
SCHEMBL30180925 0.76 PTGS1 (0.72) PTGS1PTGS2MAPK1FAAHALDH1A1
SCHEMBL28698933 0.76 PTGS1 (0.72) PTGS1PTGS2MAPK1FAAHALDH1A1
SCHEMBL1887612 0.76 PTGS1 (0.72) PTGS1PTGS2MAPK1FAAHALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779127-B Maytansinoid derivatives, conjugates thereof, and methods of use 里珍纳龙药品有限公司 2022-07-05 CN disclosed
CN-114478801-A Maytansinoid derivatives, conjugates thereof, and methods of use 里珍纳龙药品有限公司 2022-05-13 CN disclosed