SCHEMBL9579902

SCHEMBL9579902

CCCCP(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KCNH2 Q12809 9/20 0.36
LMNA P02545 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CYP2A6 P11509 1/20 0.35
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
CTRC Q99895 1/20 0.33

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
SCHEMBL9788876 0.92 SMN1; SMN2 (0.42) SMN1; SMN2KCNH2HDAC3HDAC1HDAC2
SCHEMBL11600371 0.86 LMNA (0.38) SMN1; SMN2KCNH2LMNAALDH1A1POLB
SCHEMBL8966376 0.86 LMNA (0.42) LMNACYP2A6GSK3B
SCHEMBL8965957 0.86 LMNA (0.42) LMNACYP2A6GSK3B
SCHEMBL9579813 0.83 SMN1; SMN2 (0.40) SMN1; SMN2KCNH2LMNAHDAC3HDAC1
SCHEMBL3906444 0.81 LMNA (0.47) LMNAALDH1A1L3MBTL1KDM4ECYP2A6
SCHEMBL4749819 0.80 HTT (0.38) SMN1; SMN2KCNH2LMNAALDH1A1HPGD
SCHEMBL11248615 0.79 SMN1; SMN2 (0.41) SMN1; SMN2KCNH2LMNAHDAC3HDAC1
SCHEMBL49617 0.77 TDP1 (0.38) SMN1; SMN2
SCHEMBL15732577 0.77 CA2 (0.47) SMN1; SMN2LMNAALDH1A1HPGDKDM4E

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-0322811-B1 Process for producing aldehydes or mixtures of ketones and aldehydes UNION CARBIDE CORP (US) 1993-11-10 EP disclosed
US-4945185-A HYDROCARBONYLATION UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1990-07-31 US disclosed
EP-0322811-A2 Process for producing aldehydes or mixtures of ketones and aldehydes UNION CARBIDE CORPORATION (US) 1989-07-05 EP disclosed