SCHEMBL9716362

SCHEMBL9716362

CCCCCc1ccc2cc(CCCOC(SCCOCCO)C(C)Oc3ncccn3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 2/20 0.32
TLR2 O60603 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 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
SCHEMBL9716296 0.81 MAPK1 (0.40) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9716354 0.79 MEN1 (0.42) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL10436554 0.76 CYP3A4 (0.41) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9716350 0.74 MEN1 (0.37) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9716287 0.73 MEN1 (0.41) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL10436553 0.73 MEN1 (0.43) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL14299363 0.63 CYP1A2 (0.53) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9716439 0.63 CYP3A4 (0.50) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9716227 0.62 MEN1 (0.42) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL11356287 0.61 MEN1 (0.71) MEN1USP2ALDH1A1LMNACYP3A4

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-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed