SCHEMBL9633499

SCHEMBL9633499

CCCCCCCCCCCC(=O)N(CC)C(C)NCCCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
NAAA Q02083 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
FAAH O00519 1/20 0.38
MAPK1 P28482 1/20 0.38
CNR1 P21554 3/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37
DNM1 Q05193 1/20 0.37
EPHX1 P07099 1/20 0.36
HPGD P15428 2/20 0.36
CNR2 P34972 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9633097 0.85 EPHX2 (0.40) EPHX2MEN1KMT2AFAAHMAPK1
SCHEMBL12988170 0.74 EPHX2 (0.65) EPHX2MEN1KMT2AALDH1A1LMNA
SCHEMBL11534347 0.73 KDM4E (0.40) EPHX2MEN1KMT2AALDH1A1LMNA
SCHEMBL9633210 0.73 FAAH (0.59) NAAAMEN1KMT2AFAAHMAPK1
Dodecanol SCHEMBL9777570 0.71 LMNA (0.61) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL12988807 0.70 EPHX2 (0.80) EPHX2MEN1KMT2AFAAHCNR1
SCHEMBL5503882 0.70 EPHX2 (0.49) EPHX2MEN1KMT2AFAAHALDH1A1
SCHEMBL18742134 0.70 EPHX2 (0.49) EPHX2MEN1KMT2AFAAHALDH1A1
SCHEMBL5503878 0.70 EPHX2 (0.49) EPHX2MEN1KMT2AFAAHALDH1A1
SCHEMBL9633491 0.70 PAOX (0.48) NAAAMEN1KMT2AALDH1A1LMNA

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-5162315-A Topical administration of diltiazem THERAPEUTIC PATCH RESEARCH N.V. 1992-11-10 US disclosed