SCHEMBL2844484

SCHEMBL2844484

C(C=Cc1ccccc1)=Cc1ccccc1.CC1=Cc2ccccc2C1[Zr](C)([SiH3])C1C(C)=Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 4/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPK1 P28482 1/20 0.33
HDAC6 Q9UBN7 2/20 0.30
NPC1 O15118 1/20 0.30
GRM5 P41594 1/20 0.30
RAB9A P51151 1/20 0.30
GRM4 Q14833 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 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
Ethane SCHEMBL8633242 0.83
Propane SCHEMBL8632264 0.80
SCHEMBL6905381 0.77 MAOB (0.47) MAOBCYP3A4ALDH1A1TRPA1LMNA
Hexane SCHEMBL8633797 0.77 TDP1 (0.32) CYP3A4LMNACYP2D6CYP2C9TSHR
Hydrochloric Acid SCHEMBL438831 0.75 LMNA (0.30) LMNA
SCHEMBL27510734 0.75 MAOB (0.44) MAOBCYP3A4ALDH1A1TRPA1LMNA
SCHEMBL7794022 0.74
Hydrochloric Acid SCHEMBL31498257 0.73 CYP19A1 (0.30)
SCHEMBL27497412 0.72 MAOB (0.41) MAOBCYP3A4ALDH1A1TRPA1LMNA
SCHEMBL6659310 0.72 CYP19A1 (0.32) CYP3A4LMNAKDM4ECYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2221329-B1 Catalyst composition comprising shuttling agent for ethylene multi-block copolymer formation DOW GLOBAL TECHNOLOGIES LLC (US) 2014-11-26 EP disclosed
EP-2221329-A1 Catalyst composition comprising shuttling agent for ethylene multi-block copolymer formation DOW GLOBAL TECHNOLOGIES INC. (US) 2010-08-25 EP disclosed