SCHEMBL24100196

SCHEMBL24100196

CCCN(c1ccccc1)c1ccc(C(=O)N2CCCCC2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 1/20 0.48
▸ HPGD P15428 5/20 0.47
▸ TSHR P16473 3/20 0.47
▸ CNR2 P34972 6/20 0.47
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ CNR1 P21554 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 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
SCHEMBL24100344 0.92 RXRA (0.55) PLA2G7HPGDTSHRCNR2RXRA
SCHEMBL24100149 0.91 HPGD (0.47) PLA2G7HPGDTSHRCNR2RXRA
SCHEMBL24099835 0.90 HPGD (0.55) PLA2G7HPGDTSHRCNR2ALDH1A1
SCHEMBL24099614 0.86 AR (0.48) PLA2G7HPGDTSHRRXRARXRB
SCHEMBL24100194 0.81 AR (0.46) HPGDTSHRCNR2ALDH1A1CNR1
SCHEMBL24100853 0.80 RXRA (0.48) HPGDTSHRCNR2RXRARXRB
SCHEMBL24099616 0.78 HPGD (0.39) PLA2G7HPGDTSHRCNR2ALDH1A1
SCHEMBL24099852 0.77 HPGD (0.47) PLA2G7HPGDTSHRCNR2ALDH1A1
SCHEMBL20059820 0.71 HPGD (0.61) PLA2G7HPGDTSHRCNR2ALDH1A1
SCHEMBL10838466 0.71 HTT (0.43) TSHRALDH1A1KMT2APOLB

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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