SCHEMBL10423643

SCHEMBL10423643

COc1ccc(C(OC[C@H]2OC(OC)C[C@@H]2OCc2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.38
KCNA5 P22460 1/20 0.37
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
PDE4D Q08499 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRM3 P20309 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LTA4H P09960 1/20 0.33
KDM1A O60341 1/20 0.32

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
SCHEMBL10423644 1.00 TYMP (0.38) TYMPKCNA5SLC6A1SLC6A11PDE4D
SCHEMBL10423648 0.94 PDE4D (0.38) TYMPPDE4DPSEN1PSEN2APH1B
SCHEMBL10423649 0.94 PDE4D (0.38) TYMPPDE4DPSEN1PSEN2APH1B
SCHEMBL10423331 0.89 TYMP (0.41) TYMPSLC6A1SLC6A11CYP3A4CYP2C19
SCHEMBL10758604 0.85 PDE4D (0.38) TYMPPDE4DPSEN1PSEN2APH1B
SCHEMBL10758609 0.85 PDE4D (0.38) TYMPPDE4DPSEN1PSEN2APH1B
SCHEMBL10423655 0.82 MEN1 (0.38) TYMPMEN1KMT2AKIF11
SCHEMBL10423647 0.82 MEN1 (0.38) TYMPMEN1KMT2AKIF11
SCHEMBL9212681 0.81 TYMP (0.44) TYMPSLC6A1SLC6A11CYP3A4MEN1
SCHEMBL9208332 0.81 TYMP (0.44) TYMPSLC6A1SLC6A11CYP3A4MEN1

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-4898936-A ANTITUMOR AGENTS PCR, INC. (US) 1990-02-06 US claimed
US-4898936-A ANTITUMOR AGENTS PCR, INC. (US) 1990-02-06 US disclosed