SCHEMBL3638952

SCHEMBL3638952

CC1(O)C=CC=C(/C=C/C(=O)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
BCHE P06276 4/20 0.45
LMNA P02545 3/20 0.45
CYP1B1 Q16678 3/20 0.45
MAOB P27338 3/20 0.45
RECQL P46063 2/20 0.45
PLIN1 O60240 1/20 0.45
TNFRSF1A P19438 1/20 0.45
ACHE P22303 1/20 0.45
PLIN5 Q00G26 1/20 0.45
ABHD5 Q8WTS1 1/20 0.45
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
P4HB P07237 1/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL3638953 1.00 MAPT (0.45) MAPTBCHELMNACYP1B1MAOB
SCHEMBL28485825 0.79 ABCG2 (0.43) MAPTBCHELMNACYP1B1MAOB
SCHEMBL32689424 0.76 MAPT (0.53) MAPTBCHELMNACYP1B1MAOB
SCHEMBL3905745 0.72 KMT2A (0.42) MAPTBCHELMNACYP1B1MAOB
SCHEMBL3905749 0.72 KMT2A (0.42) MAPTBCHELMNACYP1B1MAOB
SCHEMBL3691676 0.70 CYP3A4 (0.31) CYP3A4
SCHEMBL27549569 0.69 MAPT (0.45) MAPTBCHELMNACYP1B1MAOB
SCHEMBL6270921 0.65 MAPT (0.46) MAPTBCHELMNACYP1B1MAOB
SCHEMBL29945646 0.65 MAPT (0.46) MAPTBCHELMNACYP1B1MAOB
SCHEMBL8845821 0.65 MAPT (0.46) MAPTBCHELMNACYP1B1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278784-A1 METHODS AND COMPOSITIONS FOR TREATING SKIN CONDITIONS PURETECH VENTURES (US) 2010-11-04 US disclosed
EP-2155146-A1 METHODS AND COMPOSITIONS FOR TREATING SKIN CONDITIONS Puretech Ventures (US) 2010-02-24 EP disclosed
WO-2008143928-A1 METHODS AND COMPOSITIONS FOR TREATING SKIN CONDITIONS PURETECH VENTURES (US) 2008-11-27 WO disclosed
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed