SCHEMBL10693647

SCHEMBL10693647

CC1C(=O)NOc2cc(C(=O)CCCO)ccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.35
CTNNB1 P35222 9/20 0.34
WNT3A P56704 7/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KLF5 Q13887 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL10693708 0.89 THRA (0.38) ALDH1A1KDM4E
SCHEMBL8785344 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDCTNNB1WNT3A
SCHEMBL10692241 0.87 HPGD (0.48) ALDH1A1HPGDCTNNB1WNT3ASMN1; SMN2
SCHEMBL8786824 0.83 GSK3B (0.38) HPGDTSHR
SCHEMBL10693893 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDCTNNB1WNT3A
SCHEMBL10691942 0.69 XDH (0.49) ALDH1A1LMNAMAPTTDP1NPC1
SCHEMBL10693560 0.67 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDCTNNB1WNT3A
SCHEMBL6493919 0.66 PARP1 (0.42) SMN1; SMN2LMNA
SCHEMBL10691793 0.64 HPGD (0.48) ALDH1A1HPGDCTNNB1WNT3ASMN1; SMN2
SCHEMBL10694040 0.63 HPGD (0.47) ALDH1A1HPGDCTNNB1WNT3ASMN1; SMN2

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
US-4778792-A Use of 7-acyl benzoxazinones and their derivatives in treating atheromatous disorders LABORATORIES NEGMA (FR) 1988-10-18 US disclosed