SCHEMBL2781616

SCHEMBL2781616

CCN(CCCc1ccc(F)c(C(=O)O)c1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ KAT8 Q9H7Z6 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ RARB P10826 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2780803 0.88 KAT8 (0.51) LMNACYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL2782718 0.82 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL2779102 0.82 MRGPRX4 (0.47) LMNACYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL2781727 0.82 RARB (0.45) LMNACYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL2780500 0.81 KDM4E (0.44) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL2781686 0.80 CYP1A2 (0.48) LMNACYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL2784683 0.80 FFAR1 (0.47) LMNACYP1A2CYP2D6CYP2C19L3MBTL1
Hydrochloric Acid SCHEMBL2779523 0.79 SLC16A3 (0.49) LMNAL3MBTL1KDM4EALDH1A1HTT
SCHEMBL2783032 0.73 CXCR2 (0.47) LMNACYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL2130735 0.72 CASR (0.60) CYP2D6HTTSIGMAR1KMT2A

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
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 — — WO claimed
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 — — WO disclosed
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