SCHEMBL7437146

SCHEMBL7437146

CCC(C)[C](Cc1ccccc1)c1cccc(Cc2c[nH]c3ccccc23)c1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SLC6A2 P23975 2/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MAPT P10636 3/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GPR84 Q9NQS5 2/20 0.40
AHR P35869 1/20 0.40
KDM4E B2RXH2 3/20 0.40
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7445854 0.84 SCN1A (0.36) CYP3A4KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL7442088 0.75 TBXAS1 (0.38) ALDH1A1LMNAHTTSIGMAR1
SCHEMBL7448248 0.73 SMN1; SMN2 (0.35) MEN1KMT2ASLC6A2MAPTTDP1
SCHEMBL7442500 0.70 TRPA1 (0.34) MEN1KMT2ASLC6A2MAPTKDM4E
SCHEMBL9134829 0.69 L3MBTL1 (0.41) MAPTCYP3A4TDP1L3MBTL1ALDH1A1
SCHEMBL9130638 0.68 PPM1D (0.38) MEN1KMT2AALDH1A1HTT
SCHEMBL9540262 0.68 KDM4E (0.44) MEN1KMT2AMAPTCYP3A4TDP1
SCHEMBL9131964 0.66 ALDH1A1 (0.37) SLC6A2KDM4EPOLBALDH1A1SLC6A4
SCHEMBL7436705 0.66 L3MBTL1 (0.37) CYP3A4L3MBTL1TSHRHTT
SCHEMBL7432409 0.65 CASR (0.38) KDM4EL3MBTL1

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-5491149-A VIRICIDES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 US disclosed