SCHEMBL25212980

SCHEMBL25212980

CCC(C)(C)OP(Cl)Oc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.32
RIPK1 Q13546 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA4 P22748 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL25199999 0.82 ACHE (0.41) LMNAL3MBTL1
SCHEMBL28441560 0.81 LTA4H (0.34) LTA4HRIPK1LMNANPSR1L3MBTL1
SCHEMBL2220737 0.81 CA4 (0.36) LTA4HRIPK1LMNAL3MBTL1CA4
SCHEMBL18554725 0.79 LMNA (0.35) LTA4HRIPK1LMNANPSR1L3MBTL1
SCHEMBL25213345 0.78 ALDH1A1 (0.33) CYP1A2
SCHEMBL932517 0.73 LTA4H (0.45) LTA4HL3MBTL1CA4
SCHEMBL25200005 0.73 LTA4H (0.41) LTA4HLMNAL3MBTL1CA4CHRNB2
SCHEMBL28441562 0.71 LTA4H (0.32) LTA4HRIPK1LMNANPSR1L3MBTL1
SCHEMBL29193947 0.71 LTA4H (0.38) LTA4HRIPK1NPSR1L3MBTL1CA4
SCHEMBL2218347 0.70 CA4 (0.46) LTA4HCA4

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
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US disclosed