SCHEMBL11548715

SCHEMBL11548715

O=P1(c2ccc(Cl)cc2)CC=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CYP2A6 P11509 1/20 0.38
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
ALDH1A1 P00352 2/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
IDO1 P14902 1/20 0.31
EEF2K O00418 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA3 P07451 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
SCHEMBL30477561 0.67
1,4-Dichlorobenzene SCHEMBL11243685 0.62
1,4-Dichlorobenzene SCHEMBL5191 0.62
1,4-Dichlorobenzene SCHEMBL27286834 0.60 LMNA (0.61) LMNACYP2A6CA1CA2ALDH1A1
1,4-Dichlorobenzene SCHEMBL27285654 0.59 LMNA (0.73) LMNACYP2A6CA1CA2ALDH1A1
1,4-Dichlorobenzene SCHEMBL28007745 0.59 LMNA (0.73) LMNACYP2A6CA1CA2ALDH1A1
1,4-Dichlorobenzene SCHEMBL29137104 0.59 LMNA (0.73) LMNACYP2A6CA1CA2ALDH1A1
1,4-Dichlorobenzene SCHEMBL5144812 0.58 LMNA (0.89) LMNACYP2A6CA1CA2ALDH1A1
1,4-Dichlorobenzene SCHEMBL6230506 0.58
1,4-Dichlorobenzene SCHEMBL15668734 0.58

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-4162276-A CONTAINING A HEXAALKOXYMETHYLMELAMINE, ORGANIC HALOGEN COMPOUND, A PHOSPHOCYCLOPENTANE-1-OXIDE UNIROYAL, INC. (US) 1979-07-24 US disclosed