SCHEMBL29975972

SCHEMBL29975972

COc1ccc(Oc2ccc(C(O)c3ccc(Oc4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.58
SRD5A2 P31213 1/20 0.52
ALDH1A1 P00352 3/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
AOC3 Q16853 2/20 0.48
PARP10 Q53GL7 1/20 0.48
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
ELANE P08246 1/20 0.46
ACP3 P15309 1/20 0.44

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
SCHEMBL25574740 1.00 LTA4H (0.58) LTA4HSRD5A2ALDH1A1CA12CA1
SCHEMBL120187 0.93 CA12 (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL820949 0.92 ACHE (0.58) LTA4HSRD5A2ALDH1A1CA12CA1
SCHEMBL25873960 0.92 LTA4H (0.73) LTA4HSRD5A2ALDH1A1MEN1KMT2A
SCHEMBL18383076 0.92 LTA4H (0.50) LTA4HSRD5A2ALDH1A1CA12CA1
SCHEMBL19191531 0.87 ACHE (0.52) LTA4HSRD5A2ALDH1A1TSHRMAPK1
SCHEMBL477621 0.84 ACP3 (0.61) LTA4HSRD5A2ALDH1A1CA12CA1
SCHEMBL477466 0.84 ACP3 (0.61) LTA4HSRD5A2ALDH1A1CA12CA1
SCHEMBL28973547 0.84 ACHE (0.65) ALDH1A1CA12CA1CA2CA7
SCHEMBL477389 0.84 ACP3 (0.61) LTA4HSRD5A2ALDH1A1CA12CA1

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-11511238-B1 Composite covalent organic framework membranes Avanpore LLC (US) 2022-11-29 US disclosed