SCHEMBL14156019

SCHEMBL14156019

CCCCC(CC)COC(=O)/C(C#N)=C/O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ TSHR P16473 3/20 0.52
▸ CYP3A4 P08684 5/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CA2 P00918 4/20 0.46
▸ RECQL P46063 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CA1 P00915 1/20 0.35

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
SCHEMBL14157941 1.00 ALDH1A1 (0.54) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL14345854 0.87 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL10644154 0.83 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL28967079 0.82 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL12292855 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL5272544 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL7109914 0.80 ALDH1A1 (0.64) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL2398261 0.80 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL12101253 0.80 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL2398264 0.80 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008076218-A1 PHOTOTHERMOGRAPHIC MATERIALS CONTAINING DEVELOPER AND CO-DEVELOPER CARESTREAM HEALTH, INC. (US) 2008-06-26 — — WO disclosed
US-20080145800-A1 PHOTOTHERMOGRAPHIC MATERIALS CONTAINING DEVELOPER AND CO-DEVELOPER CARESTREAM HEALTH, INC. 2008-06-19 — — US disclosed
US-20080145800-A1 PHOTOTHERMOGRAPHIC MATERIALS CONTAINING DEVELOPER AND CO-DEVELOPER CARESTREAM HEALTH, INC. 2008-06-19 — — US disclosed
US-20080145801-A1 PHOTOTHERMOGRAPHIC MATERIALS CONTAINING DEVELOPER AND CO-DEVELOPER CARESTREAM HEALTH, INC. 2008-06-19 — — US disclosed
US-20080145801-A1 PHOTOTHERMOGRAPHIC MATERIALS CONTAINING DEVELOPER AND CO-DEVELOPER CARESTREAM HEALTH, INC. 2008-06-19 — — US disclosed
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