SCHEMBL9702616

SCHEMBL9702616

CC(C)Cl.CC(C)Oc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.53
ALDH1A3 P47895 1/20 0.50
MAP4K4 O95819 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP3A5 P20815 1/20 0.49
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PARP10 Q53GL7 1/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GLA P06280 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
ADRB2 P07550 1/20 0.41

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
SCHEMBL104891 0.97 P2RX3 (0.54) P2RX3ALDH1A3MAP4K4CYP3A4CYP3A5
SCHEMBL22967688 0.91 MAOA (0.52) P2RX3ALDH1A3MAP4K4CYP3A4CYP3A5
SCHEMBL12204427 0.87 P2RX3 (0.47) P2RX3ALDH1A3MAP4K4CYP3A4CYP3A5
SCHEMBL10601649 0.85 POLB (0.48) P2RX3MAP4K4POLBL3MBTL1CYP1A2
SCHEMBL125543 0.84 ALDH1A3 (0.64) ALDH1A3POLBKMT2APARP10CYP1A2
SCHEMBL6556332 0.82 L3MBTL1 (0.53) P2RX3MAP4K4POLBL3MBTL1CYP1A2
SCHEMBL28060864 0.82 KMT2A (0.61) P2RX3CYP3A4POLBKMT2APARP10
SCHEMBL27912406 0.82 HPGD (0.65) P2RX3CYP3A4POLBKMT2AL3MBTL1
SCHEMBL17789998 0.79 L3MBTL1 (0.47) P2RX3ALDH1A3MAP4K4CYP3A4CYP3A5
SCHEMBL8993705 0.79 LMNA (0.44) POLBKMT2AL3MBTL1CYP1A2CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992013820-A1 PROCESS FOR THE PREPARATION OF ALKYL-4-HALOPHENYL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-20 WO disclosed