SCHEMBL8056403

SCHEMBL8056403

CCC(C)P(Cc1ccc2ccccc2c1-c1c(CP(C2CCCCC2)C2CCCCC2)ccc2ccccc12)C(C)CC

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.31
SLC18A2 Q05940 1/20 0.31
BCHE P06276 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8059204 0.90 ACP3 (0.33) ACP3SLC18A2BCHEALDH1A1CYP1A2
SCHEMBL8833380 0.83 ACP3 (0.31) ACP3
SCHEMBL8061426 0.82 MAPT (0.34) ALDH1A1HSD17B10
SCHEMBL8055052 0.79 BCHE (0.37) SLC18A2BCHEALDH1A1
SCHEMBL8033368 0.79 CYP2A6 (0.38) ALDH1A1CYP1A2
SCHEMBL8029708 0.79 CYP2A6 (0.38) ALDH1A1CYP1A2
SCHEMBL8031487 0.79 CYP2A6 (0.38) ALDH1A1CYP1A2
SCHEMBL8029707 0.79 CYP2A6 (0.38) ALDH1A1CYP1A2
SCHEMBL8043515 0.78 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8056040 0.77 ACP3 (0.35) ACP3ALDH1A1CYP1A2CYP2D6CYP2C9

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
EP-0704449-B1 Process for the preparation of diphosphanes CELANESE CHEM EUROPE GMBH (DE) 2000-05-24 EP disclosed
US-5696296-A Diphosphines and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
EP-0704449-A1 Diphosphanes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-03 EP disclosed