SCHEMBL24100149

SCHEMBL24100149

CCCN(c1ccc(C)cc1)c1ccc(C(=O)N2CCCCC2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.47
▸ TSHR P16473 2/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ CNR2 P34972 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ PLA2G7 Q13093 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PROKR1 Q8TCW9 1/20 0.42

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 0.92 RXRA (0.55) HPGDTSHRKMT2ARXRARXRB
SCHEMBL24100196 0.91 PLA2G7 (0.48) HPGDTSHRKMT2ARXRARXRB
SCHEMBL24099835 0.88 HPGD (0.55) HPGDTSHRKMT2AALDH1A1CNR2
SCHEMBL24099614 0.88 AR (0.48) HPGDTSHRKMT2ARXRARXRB
SCHEMBL24100194 0.83 AR (0.46) HPGDTSHRKMT2AALDH1A1MEN1
SCHEMBL24100853 0.80 RXRA (0.48) HPGDTSHRKMT2ARXRARXRB
SCHEMBL24099852 0.80 HPGD (0.47) HPGDTSHRKMT2AALDH1A1CNR2
SCHEMBL24099616 0.76 HPGD (0.39) HPGDTSHRKMT2AALDH1A1MEN1
SCHEMBL18351224 0.72 RXRA (0.47) HPGDKMT2ARXRARXRBRXRG
SCHEMBL12354846 0.72 HPGD (0.80) HPGDTSHRKMT2AALDH1A1MEN1

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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