SCHEMBL8425019

SCHEMBL8425019

C[Hf](C)(C)C1=C(Cc2ccccc2)C=CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.38
LTA4H P09960 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL7931809 0.73 CALM1 (0.44) CALM1LTA4HCYP3A4LMNATAAR1
SCHEMBL7631546 0.71 CALM1 (0.38) CALM1LTA4HLMNATAAR1
SCHEMBL6055305 0.71 CALM1 (0.38) CALM1LTA4HKDM4ECYP3A4MAPT
Hydrochloric Acid SCHEMBL6812296 0.70 CALM1 (0.41) CALM1LTA4HCYP3A4LMNATAAR1
SCHEMBL2234571 0.70 CALM1 (0.41) CALM1LTA4HKDM4ECYP3A4MAPT
SCHEMBL4576935 0.70 CALM1 (0.41) CALM1LTA4HCYP3A4LMNATAAR1
SCHEMBL3837766 0.69 CALM1 (0.39) CALM1KDM4ECYP3A4MAPTLMNA
SCHEMBL4576336 0.69 CALM1 (0.39) CALM1LMNATAAR1MAOAMAOB
Hydrochloric Acid SCHEMBL3680937 0.69 CALM1 (0.39) CALM1KDM4ECYP3A4MAPTLMNA
SCHEMBL4576339 0.69 CALM1 (0.39) CALM1LMNATAAR1MAOAMAOB

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-5886117-A Process using borane derived catalysts for preparation of syndiotactic vinyl aromatic polymers THE DOW CHEMICAL COMPANY (US) 1999-03-23 US disclosed
EP-0742226-B1 Process for preparing borane derived catalysts for preparation of syndiotactic vinyl aromatic polymers DOW CHEMICAL CO (US) 1998-12-02 EP disclosed
EP-0742226-A2 Process for preparing borane derived catalysts for preparation of syndiotactic vinyl aromatic polymers THE DOW CHEMICAL COMPANY (US) 1996-11-13 EP disclosed