SCHEMBL8711519

SCHEMBL8711519

[CH2]C=C(C)COC(=O)CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
PAM P19021 2/20 0.40
TSHR P16473 1/20 0.38
DGKA P23743 1/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
NLRP3 Q96P20 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CYP1A2 P05177 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL8711516 1.00 ALDH1A1 (0.43) ALDH1A1PAMTSHRDGKAMAPT
SCHEMBL11723670 0.83 ALDH1A1 (0.46) ALDH1A1PAMTSHRDGKAMAPT
SCHEMBL11723678 0.83 ALDH1A1 (0.46) ALDH1A1PAMTSHRDGKAMAPT
SCHEMBL8704613 0.83 NAAA (0.38) ALDH1A1PAMTSHRCYP1A2
SCHEMBL8709182 0.83 NAAA (0.38) ALDH1A1PAMTSHRCYP1A2
SCHEMBL1572794 0.80 ALDH1A1 (0.43) ALDH1A1PAMTSHRDGKAMAPT
SCHEMBL1572792 0.80 ALDH1A1 (0.43) ALDH1A1PAMTSHRDGKAMAPT
SCHEMBL1695533 0.77 ALDH1A1 (0.48) ALDH1A1PAMTSHRDGKAMAPT
SCHEMBL8705280 0.76
SCHEMBL6414364 0.76 ALDH1A1 (0.52) ALDH1A1PAMTSHRDGKAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540854-B1 Preparation for promoting hair growth SANSHO SEIYAKU KK (JP) 1998-01-21 EP disclosed
US-5656264-A ADMINISTERING TO THE SCALP OF THE MALE A PREPERATION CONSITING OF 6-BENZYLAMINOPURINE SANSYO SEIYAKU CO., LTD. (JP) 1997-08-12 US disclosed
EP-0540854-A2 Preparation for promoting hair growth Sansho Seiyaku Co., Ltd. (JP) 1993-05-12 EP disclosed