SCHEMBL30485743

SCHEMBL30485743

C=CCOc1cc(Cl)ccc1C(=O)NCCN1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ EPHX2 P34913 1/20 0.49
▸ GAA P10253 3/20 0.47
▸ HTR4 Q13639 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ F10 P00742 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTT P42858 1/20 0.44

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
SCHEMBL29358295 0.99 KDM4E (0.52) ALDH1A1KDM4EEPHX2GAAHTR4
SCHEMBL29833947 0.92 CNR1 (0.47) ALDH1A1GAATSHRCYP2C19LMNA
SCHEMBL29989069 0.91 CYP2C19 (0.59) ALDH1A1KDM4EEPHX2CYP2C19LMNA
SCHEMBL29389586 0.82 TSHR (0.49) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL11823375 0.82 TSHR (0.49) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL30358593 0.82 GAA (0.53) GAATSHRCYP2C19LMNAL3MBTL1
Hydrochloric Acid SCHEMBL11826513 0.81 TSHR (0.48) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL30391813 0.79 HPGD (0.50) ALDH1A1GAATSHRCYP2C19LMNA
Alloclamide SCHEMBL872157 0.77 MCHR1 (0.53) ALDH1A1KDM4EGAAHTR4TSHR
Alloclamide SCHEMBL29730070 0.77 MCHR1 (0.53) ALDH1A1KDM4EGAAHTR4TSHR

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-20230399033-A1 RAILROAD HOPPER CAR WITH FLOW THROUGH STRUCTURE NATIONAL STEEL CAR LIMITED (CA) 2023-12-14 — — US disclosed
US-11697437-B2 Railroad hopper car structure and gate therefor NATIONAL STEEL CAR LIMITED (CA) 2023-07-11 — — US disclosed
US-11691652-B2 Railroad hopper car with flow through structure NATIONAL STEEL CAR LIMITED (CA) 2023-07-04 — — US disclosed
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