SCHEMBL29894181

SCHEMBL29894181

O=C(O)c1ccc(Cc2cc(Cc3ccc(C(=O)O)cc3)nc(Cc3ccc(C(=O)O)cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.51
ALDH1A1 P00352 2/20 0.47
RXRA P19793 3/20 0.46
RXRB P28702 3/20 0.46
RXRG P48443 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
NR4A2 P43354 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43

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
SCHEMBL68390 0.82 SRD5A2 (0.69) SRD5A2ALDH1A1RXRARXRBRXRG
SCHEMBL28951143 0.80 SRD5A2 (0.58) SRD5A2ALDH1A1RXRARXRBRXRG
SCHEMBL11673315 0.80 SRD5A2 (0.62) SRD5A2ALDH1A1RXRARXRBRXRG
Hydrochloric Acid SCHEMBL25188150 0.80 SRD5A2 (0.67) SRD5A2ALDH1A1RXRARXRBRXRG
Hydrochloric Acid SCHEMBL7133360 0.80 SRD5A2 (0.67) SRD5A2ALDH1A1RXRARXRBRXRG
SCHEMBL17537258 0.78 NR4A2 (0.42) SRD5A2ALDH1A1RXRARXRBTSHR
SCHEMBL11467697 0.76 TSHR (0.74) SRD5A2ALDH1A1CA12CA1CA2
SCHEMBL1289403 0.76 CA12 (0.70) SRD5A2ALDH1A1RXRARXRBCA12
Benzoic Acid SCHEMBL7064148 0.76 SRD5A2 (0.71) SRD5A2ALDH1A1CA12CA1CA2
SCHEMBL502598 0.76 SRD5A2 (0.71) SRD5A2ALDH1A1CA12CA1CA2

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
CN-115010950-A Ce-MOF (cerium-organic framework) adjustable crystal luminescent material and preparation method thereof 南京工业大学 2022-09-06 CN disclosed