SCHEMBL11538642

SCHEMBL11538642

OCCCC(Oc1ccccc1)n1cccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LTA4H P09960 2/20 0.32
EPHX2 P34913 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNA3 P22001 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
PPARG P37231 4/20 0.31
PPARA Q07869 4/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL11269562 0.79 ALDH1A1 (0.40) ALDH1A1NPSR1HSD17B10MTNR1AMTNR1B
SCHEMBL15209085 0.73 ALDH1A1 (0.42) ALDH1A1RECQLLTA4HEPHX2SLC6A4
SCHEMBL2096011 0.72 MTNR1A (0.49) ALDH1A1RECQLLTA4HSLC6A4KCNA3
SCHEMBL11498437 0.68 NPSR1 (0.38) ALDH1A1RECQLNPSR1HSD17B10MTNR1A
SCHEMBL11172887 0.67 CYP19A1 (0.43) ALDH1A1NPSR1HPGDMEN1KMT2A
SCHEMBL5729586 0.66 ALDH1A1 (0.46) ALDH1A1RECQLLTA4HSLC6A4KCNA3
SCHEMBL6438883 0.66 ALDH1A1 (0.46) ALDH1A1RECQLLTA4HSLC6A4KCNA3
SCHEMBL2569853 0.65 ALDH1A1 (0.45) ALDH1A1RECQLLTA4HSLC6A4KCNA3
SCHEMBL15466170 0.64 SLC7A5 (0.38) ALDH1A1RECQLSLC6A4MTNR1AMTNR1B
SCHEMBL10643685 0.63 ALDH1A1 (0.43) ALDH1A1RECQLLTA4HSLC6A4KCNA3

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