SCHEMBL11657485

SCHEMBL11657485

O=C(O)c1cc(-c2ccccc2)c(C(=O)O)c(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.45
PDE10A Q9Y233 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCL1 Q07820 1/20 0.42
KMO O15229 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
Cyclopropane SCHEMBL11658000 0.81 ALDH1A1 (0.48) DHODHLMNAKDM4EALDH1A1HPGD
SCHEMBL26986682 0.77 ALDH1A1 (0.46) LMNATSHRKDM4EALOX15ACMSD
SCHEMBL30712643 0.77 ALDH1A1 (0.46) LMNATSHRKDM4EALOX15ACMSD
SCHEMBL2837730 0.77 KDM4E (0.54) DHODHPDE10ALMNATSHRKDM4E
SCHEMBL2114841 0.74 GRM2 (0.61) PDE10ALMNAKDM4EALOX15ALDH1A1
SCHEMBL6052793 0.74 MMP2 (0.53) KDM4ETDP1ALDH1A1RAB9AMCL1
SCHEMBL10985563 0.74 KDM4E (0.48) DHODHPDE10ALMNATSHRKDM4E
SCHEMBL13321751 0.73 MMP2 (0.53) DHODHLMNACYP3A4CYP2C8CYP2C9
SCHEMBL15439882 0.72 PIK3CA (0.48) DHODHTSHRKDM4EALOX15ACMSD
SCHEMBL1759786 0.71 MCL1 (0.64) TSHRKDM4EALOX15ACMSDTDP1

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-4093622-A Pyridine esters of cyclopropane-carboxylic acid ZOECON CORPORATION (US) 1978-06-06 US disclosed