SCHEMBL9709725

SCHEMBL9709725

CC(C)C(=O)CC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SIGMAR1 Q99720 1/20 0.43
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CTRB1 P17538 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL9709399 0.87 MMP1 (0.50) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL14600180 0.82 HPGD (0.48) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL9075534 0.81 HPGD (0.47) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL9075532 0.81 HPGD (0.47) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL9330375 0.80 TP53 (0.48) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL5169748 0.80 ALDH1A1 (0.46) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL5169742 0.80 ALDH1A1 (0.46) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL27686290 0.80 CPA1 (0.45) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL6330627 0.80 CPA1 (0.45) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL5170328 0.80 ALDH1A1 (0.46) HPGDMEN1KMT2ANPC1RAB9A

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-1992010510-A1 DITHIOLANO- AND DITHIANOGLYCIN-CONTAINING RENIN-INHIBITING PEPTIDES, PROCESS FOR PRODUCING THE SAME AND THEIR USE IN MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-25 WO disclosed