SCHEMBL11722752

SCHEMBL11722752

[CH2]C(=O)C(C)CCCC(C)(C)OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CA1 P00915 2/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
PSEN1 P49768 6/20 0.31
PSEN2 P49810 6/20 0.31
APH1B Q8WW43 6/20 0.31
NCSTN Q92542 6/20 0.31
APH1A Q96BI3 6/20 0.31
PSENEN Q9NZ42 6/20 0.31
TSHR P16473 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
SCHEMBL11376061 1.00 ALDH1A1 (0.43) ALDH1A1TDP1LMNACYP3A4CA1
SCHEMBL16897672 0.82 BLM (0.47) ALDH1A1TDP1LMNACYP3A4CA1
SCHEMBL2692582 0.82 ALDH1A1 (0.44) ALDH1A1TDP1LMNACYP3A4CA1
SCHEMBL16897681 0.81 ALDH1A1 (0.40) ALDH1A1TDP1LMNACYP3A4CA1
SCHEMBL11252155 0.79 ALDH1A1 (0.40) ALDH1A1TDP1LMNACYP3A4CA1
SCHEMBL18774511 0.78 ALDH1A1 (0.35) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL20825478 0.78 ACE2 (0.44) ALDH1A1TDP1LMNACYP3A4CA1
SCHEMBL16903603 0.78 ALDH1A1 (0.39) ALDH1A1TDP1LMNACYP3A4CA1
SCHEMBL18232692 0.77 ALDH1A1 (0.35) ALDH1A1TDP1LMNACYP3A4PSEN1
SCHEMBL16903604 0.76 CYP3A4 (0.41) ALDH1A1TDP1LMNACYP3A4TSHR

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-4055589-A PROSTAGLANDINS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-10-25 US disclosed