SCHEMBL9743402

SCHEMBL9743402

CCCC(C)c1ccc(C(=O)O)c(C(=O)O)c1C(C)CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.38
ALDH1A1 P00352 4/20 0.34
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC37A4 O43826 1/20 0.33
GRM1 Q13255 1/20 0.33
HCAR3 P49019 1/20 0.32
POLB P06746 2/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
CYP1A2 P05177 1/20 0.31
RAB9A P51151 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 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
SCHEMBL1644469 0.91 ALDH1A1 (0.38) ACE2ALDH1A1CA12CA9KDM4E
SCHEMBL10894132 0.90 ALDH1A1 (0.43) ACE2ALDH1A1CA12CA9KDM4E
SCHEMBL7644691 0.88 ALDH1A1 (0.45) ACE2ALDH1A1CA12CA9SLC37A4
SCHEMBL6447198 0.88 ACE2 (0.38) ACE2ALDH1A1CA12CA9KDM4E
SCHEMBL8603134 0.85 ACE2 (0.40) ACE2ALDH1A1CA12CA9KDM4E
SCHEMBL5515097 0.84 ALDH1A1 (0.44) ACE2ALDH1A1CA12CA9SLC37A4
SCHEMBL5525340 0.81 ALDH1A1 (0.44) ACE2ALDH1A1CA12CA9SLC37A4
SCHEMBL6444436 0.81 KDM4E (0.40) ACE2ALDH1A1CA12CA9KDM4E
SCHEMBL7649720 0.79 SLC37A4 (0.43) ALDH1A1CA12CA9KDM4EMEN1
SCHEMBL11616577 0.78 ALDH1A1 (0.34) ACE2ALDH1A1CA12CA9KDM4E

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
US-5089460-A Coordination catalyst ACADEMY OF APPLIED SCIENCE, INC. (US) 1992-02-18 US claimed
US-5089460-A Coordination catalyst ACADEMY OF APPLIED SCIENCE, INC. (US) 1992-02-18 US disclosed