SCHEMBL8712439

SCHEMBL8712439

CCCCC(CC)CO[Hf](C1=CC=CC1)C1=CC=CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
CYP3A4 P08684 6/20 0.40
CA2 P00918 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 4/20 0.36
MAPK1 P28482 3/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.34
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL8715942 0.99 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2L3MBTL1LMNA
SCHEMBL7537183 0.71
SCHEMBL6903241 0.71 CYP3A4 (0.38) ALDH1A1CYP3A4CA2L3MBTL1LMNA
SCHEMBL6357923 0.71 CYP3A4 (0.40) ALDH1A1CYP3A4CA2L3MBTL1LMNA
SCHEMBL27279270 0.71 CYP3A4 (0.38) ALDH1A1CYP3A4CA2L3MBTL1LMNA
Hydrochloric Acid SCHEMBL6357067 0.71 CYP3A4 (0.38) ALDH1A1CYP3A4CA2L3MBTL1LMNA
Hydrochloric Acid SCHEMBL8678318 0.70
Hydrochloric Acid SCHEMBL8715936 0.70 CYP3A4 (0.37) ALDH1A1CYP3A4CA2L3MBTL1LMNA
Hydrochloric Acid SCHEMBL8717756 0.70 CYP3A4 (0.37) ALDH1A1CYP3A4CA2L3MBTL1LMNA
Hydrochloric Acid SCHEMBL6357068 0.70 CYP3A4 (0.39) ALDH1A1CYP3A4CA2L3MBTL1LMNA

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-0669346-B1 Solid catalyst components for olefin polymerization and use thereof NIPPON OIL CO LTD (JP) 1998-06-03 EP disclosed
US-5604170-A EFFECTIVE CATALYST SUPPORT SATISFYING CERTAIN REQUISITES: PARTICLE DIAMETER, SPECIFIC SURFACE AREA, PORE VOLUME, SPECIFIC GRAVITY; SUBJECTED TO ULTRASONIC DISINTEGRATION NIPPON OIL COMPANY, LIMITED (JP) 1997-02-18 US disclosed
EP-0669346-A1 Solid catalyst components for olefin polymerization and use thereof NIPPON OIL CO. LTD. (JP) 1995-08-30 EP disclosed