SCHEMBL10693893

SCHEMBL10693893

CC1C(=O)[N+](C)(C)Oc2cc(C(=O)CCCO)ccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

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
ACHE P22303 2/20 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
SCHEMBL10693560 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDCTNNB1WNT3A
SCHEMBL10691793 0.87 HPGD (0.48) ALDH1A1HPGDCTNNB1WNT3ASMN1; SMN2
SCHEMBL10693647 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDCTNNB1WNT3A
SCHEMBL10692784 0.75 MEN1 (0.33)
SCHEMBL10694710 0.69 XDH (0.49) ALDH1A1LMNAMAPTTDP1NPC1
SCHEMBL8785344 0.67 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDCTNNB1WNT3A
SCHEMBL10693708 0.67 THRA (0.38) ALDH1A1KDM4E
SCHEMBL10692241 0.64 HPGD (0.48) ALDH1A1HPGDCTNNB1WNT3ASMN1; SMN2
SCHEMBL10694040 0.63 HPGD (0.47) ALDH1A1HPGDCTNNB1WNT3ASMN1; SMN2
SCHEMBL6959126 0.63 HDAC1 (0.65) ALDH1A1KDM4EHPGDTP53SMN1; 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