SCHEMBL23747190

SCHEMBL23747190

Cc1cc(C)c(NC(C)CC(C)O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 5/20 0.41
LMNA P02545 1/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HPGD P15428 1/20 0.33
NOS2 P35228 1/20 0.33
MAPT P10636 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
SCHEMBL22367809 0.78 RAPGEF4 (0.39) RAPGEF4LMNAALDH1A1L3MBTL1CYP1A2
SCHEMBL20382671 0.75
SCHEMBL11177259 0.74 RAPGEF4 (0.43) RAPGEF4LMNAALDH1A1L3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL813707 0.73 RAPGEF4 (0.41) RAPGEF4LMNAALDH1A1L3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL11183662 0.73 RAPGEF4 (0.41) RAPGEF4LMNAALDH1A1L3MBTL1CYP1A2
Bromide SCHEMBL813004 0.73 RAPGEF4 (0.41) RAPGEF4LMNAALDH1A1L3MBTL1CYP1A2
SCHEMBL11177788 0.72 RAPGEF4 (0.44) RAPGEF4LMNAALDH1A1L3MBTL1KDM4E
SCHEMBL19367695 0.72 RAPGEF4 (0.55) RAPGEF4ALDH1A1FFAR4
SCHEMBL14587753 0.72 RAPGEF4 (0.55) RAPGEF4ALDH1A1FFAR4
SCHEMBL6424941 0.72 RAPGEF4 (0.55) RAPGEF4ALDH1A1FFAR4

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-11872548-B2 Oxo-nitrogenated iron complex, catalytic system comprising said oxo-nitrogenated iron complex and process for the (co)polymerization of conjugated dienes VERSALIS S.P.A. (IT) 2024-01-16 US disclosed
US-11872548-B2 Oxo-nitrogenated iron complex, catalytic system comprising said oxo-nitrogenated iron complex and process for the (co)polymerization of conjugated dienes VERSALIS S.P.A. (IT) 2024-01-16 US disclosed
US-20210245145-A1 OXO-NITROGENATED IRON COMPLEX, CATALYTIC SYSTEM COMPRISING SAID OXO-NITROGENATED IRON COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2021-08-12 US disclosed