SCHEMBL11543545

SCHEMBL11543545

CC(C)(COC(=O)Cc1ccc(Cl)cc1)C(=O)C(Br)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.40
PPARA Q07869 1/20 0.40
P2RX3 P56373 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 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
SCHEMBL11536615 0.94 PPARA (0.48) MAPTSMN1; SMN2PPARACYP1A2CYP2C9
SCHEMBL11538050 0.89 ALDH1A1 (0.47) MAPTSMN1; SMN2PPARACYP1A2CYP2C9
SCHEMBL11534026 0.88 SMN1; SMN2 (0.47) MAPTSMN1; SMN2PPARACYP1A2CYP2C9
SCHEMBL11534296 0.87 SMN1; SMN2 (0.44) MAPTSMN1; SMN2PPARACYP1A2CYP2C9
SCHEMBL11538351 0.86 SMN1; SMN2 (0.46) MAPTSMN1; SMN2PPARACYP1A2CYP2C9
SCHEMBL11540814 0.86 TDP1 (0.53) MAPTSMN1; SMN2L3MBTL1TDP1TSHR
SCHEMBL11534861 0.86 SMN1; SMN2 (0.43) MAPTSMN1; SMN2PPARACYP1A2CYP2C9
SCHEMBL11535041 0.85 MAPT (0.47) MAPTPOLBPPARAL3MBTL1TSHR
SCHEMBL11541109 0.85 SMN1; SMN2 (0.46) SMN1; SMN2PPARACYP1A2CYP2C9CYP2C19
SCHEMBL11544832 0.85 TDP1 (0.47) MAPTSMN1; SMN2CYP1A2CYP2C19L3MBTL1

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
US-4154842-A Fungicidally and bactericidally active 1-azolyl-4-hydroxy-1-phenoxy-butane derivatives BAYER AKTIENGESELLSCHAFT (DE) 1979-05-15 US disclosed