SCHEMBL9617796

SCHEMBL9617796

CC#CCC1(C(O)(C(=O)O)c2ccc(N(CC)CC)cc2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 2/20 0.35
RAB9A P51151 3/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 1/20 0.33
AOC3 Q16853 1/20 0.33
NPC1 O15118 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
CNR2 P34972 5/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CNR1 P21554 1/20 0.31
PSMD14 O00487 1/20 0.31

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
Hydrochloric Acid SCHEMBL6000655 0.99 MEN1 (0.34) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL17784420 0.82 CTSK (0.31) LMNAADORA3
SCHEMBL15675854 0.73 MEN1 (0.37) ALDH1A1MEN1KMT2ARECQLNPSR1
SCHEMBL896438 0.68 CYP3A4 (0.34) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL9345320 0.67 MEN1 (0.53) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL29089926 0.66 CHRM2 (0.62) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL10471625 0.64 MEN1 (0.49) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL10473985 0.63 MEN1 (0.47) ALDH1A1MEN1KMT2ARECQLRAB9A
SCHEMBL9718482 0.62 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL5099689 0.62 CTSS (0.49) ALDH1A1MEN1KMT2ALMNANOX1

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
JP-4266821-A None JP disclosed
JP-H04266821-A PERCUTANEOUS ABSORPTION TYPE TREATING AGENT FOR POLLAKISURIA AND INCONTINENCE OF URINE RIIDE CHEM KK 1992-09-22 JP disclosed