SCHEMBL8745474

SCHEMBL8745474

COC(=O)[C@H](C)Nc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
ALOX15 P16050 1/20 0.55
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
MAPT P10636 6/20 0.50
LMNA P02545 6/20 0.50
HTT P42858 5/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
MAPK1 P28482 3/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
NPC1 O15118 3/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL14691489 1.00 HPGD (0.55) HPGDALOX15MEN1KMT2AMAPT
SCHEMBL29564585 0.85 HPGD (0.53) HPGDALOX15MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL29564409 0.84 HPGD (0.51) HPGDALOX15MEN1KMT2AMAPT
SCHEMBL4448945 0.83 HPGD (0.54) HPGDALOX15MEN1KMT2AMAPT
SCHEMBL4448947 0.83 HPGD (0.54) HPGDALOX15MEN1KMT2AMAPT
SCHEMBL23771133 0.82 ALDH1A1 (0.50) HPGDALOX15MEN1KMT2AMAPT
SCHEMBL9468478 0.82 HSD17B10 (0.50) ALOX15MEN1KMT2AMAPTLMNA
SCHEMBL23771092 0.82 ALDH1A1 (0.50) HPGDALOX15MEN1KMT2AMAPT
Methane SCHEMBL8701106 0.82 HPGD (0.53) HPGDALOX15MEN1KMT2AMAPT
SCHEMBL17263871 0.81 ALDH1A1 (0.53) HPGDMEN1KMT2AMAPTALDH1A1

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-0755404-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-01-29 EP disclosed