SCHEMBL10467315

SCHEMBL10467315

COC(=O)[C@H](N)[C@H](C)c1c(C)n(C)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 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
SCHEMBL22070145 0.85 KDM4E (0.46) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL10467547 0.84 HSD17B10 (0.45) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL10468538 0.82 KDM4E (0.48) ALDH1A1KDM4EHTT
SCHEMBL10776104 0.75 TRPM8 (0.47) ALDH1A1CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL10467337 0.75 TRPM8 (0.47) ALDH1A1CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL10465927 0.75 NR4A2 (0.50) ALDH1A1MAPTKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL9499951 0.74 GPR3 (0.47) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL632069 0.72 ACLY (0.48) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL27680089 0.72 KDM4E (0.50) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL17616023 0.71 GPR3 (0.52) ALDH1A1MAPTKDM4EHPGDHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4940709-A PLATELET ACTIVATING FACTOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-10 — — US disclosed
US-4806538-A ANTICOAGULANT, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-21 — — US disclosed
EP-0243122-A2 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 — — EP disclosed
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