SCHEMBL24099852

SCHEMBL24099852

CCCN(c1ccc(C(=O)N2CCCCC2)cc1C)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 9/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ CNR2 P34972 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ PLA2G7 Q13093 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL24100149 0.80 HPGD (0.47) HPGDTSHRALDH1A1HTTRAB9A
SCHEMBL24100344 0.79 RXRA (0.55) HPGDTSHRALDH1A1KMT2ACNR2
SCHEMBL24100196 0.77 PLA2G7 (0.48) HPGDTSHRALDH1A1KMT2ACNR2
SCHEMBL24099835 0.75 HPGD (0.55) HPGDTSHRALDH1A1NPC1LMNA
SCHEMBL24099614 0.75 AR (0.48) HPGDTSHRALDH1A1NPC1RAB9A
SCHEMBL24100194 0.72 AR (0.46) HPGDTSHRALDH1A1RAB9AKMT2A
SCHEMBL17689127 0.71 HPGD (0.73) HPGDTSHRALDH1A1TP53NPC1
SCHEMBL12569383 0.70 HPGD (0.73) HPGDTSHRALDH1A1TP53HTT
SCHEMBL10242018 0.69 HPGD (0.65) HPGDTSHRALDH1A1TP53NPC1
SCHEMBL24100538 0.69 HPGD (0.53) HPGDTSHRALDH1A1NPC1RAB9A

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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