SCHEMBL11802476

SCHEMBL11802476

O=C(NCC1CC2C=CC1C2)NCC1CC2C=CC1C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.47
KDM4E B2RXH2 9/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 5/20 0.38
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL19813197 0.87 EPHX2 (0.42) EPHX2KDM4ELMNAALDH1A1TDP1
SCHEMBL21716118 0.85 EPHX2 (0.40) EPHX2KDM4ELMNAALDH1A1TDP1
SCHEMBL1142727 0.85 TDP1 (0.42) EPHX2KDM4ELMNAALDH1A1TDP1
SCHEMBL26528114 0.85 EPHX2 (0.41) EPHX2KDM4ELMNAALDH1A1TDP1
SCHEMBL23194499 0.84 KDM4E (0.43) EPHX2KDM4ELMNAALDH1A1TDP1
SCHEMBL31506392 0.83 EPHX2 (0.53) EPHX2
SCHEMBL13107793 0.82 EPHX2 (0.43) EPHX2KDM4ELMNAALDH1A1TDP1
SCHEMBL13702323 0.82 KDM4E (0.41) EPHX2KDM4ELMNAALDH1A1TDP1
SCHEMBL13701829 0.81 EPHX2 (0.39) EPHX2KDM4ELMNAALDH1A1TDP1
SCHEMBL14164120 0.81 EPHX2 (0.39) EPHX2KDM4ELMNAALDH1A1TDP1

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-3973013-A Substituted S-carboxymethyl-(thiono)-(di)-thiol-phosphonic acid esters and ester-amides and insecticidal composition and method BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed
US-3966797-A Dinorbornenes UNION CARBIDE CORPORATION (US) 1976-06-29 US disclosed