SCHEMBL24100853

SCHEMBL24100853

CCCN(c1ccc(C(=O)O)cc1)c1ccc(C(=O)N2CCCC2)cc1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.48
▸ RXRB P28702 1/20 0.48
▸ RXRG P48443 1/20 0.48
▸ HPGD P15428 14/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ AR P10275 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ TSHR P16473 2/20 0.39

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
SCHEMBL24100344 0.88 RXRA (0.55) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL24100149 0.80 HPGD (0.47) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL24100196 0.80 PLA2G7 (0.48) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL24099614 0.77 AR (0.48) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL24099639 0.76 HPGD (0.47) HPGDALDH1A1LMNAHTTHSD17B10
SCHEMBL24099835 0.73 HPGD (0.55) HPGDALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL24100898 0.72 MGLL (0.37) HPGDALDH1A1HSD17B10TLR8TLR7
SCHEMBL70806 0.69 HPGD (0.79) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL24099852 0.68 HPGD (0.47) HPGDALDH1A1LMNAHTTHSD17B10
SCHEMBL3905925 0.68 HPGD (0.83) HPGDALDH1A1LMNAMEN1KMT2A

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
EP-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 — — EP disclosed
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