SCHEMBL954016

SCHEMBL954016

C=C/C=C/C(C=Cc1ccccc1)=C\c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
PLIN1 O60240 2/20 0.44
LMNA P02545 2/20 0.44
RECQL P46063 2/20 0.44
PLIN5 Q00G26 2/20 0.44
ABHD5 Q8WTS1 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
TNKS O95271 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44

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
SCHEMBL9422101 1.00 ALDH1A1 (0.44) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL24093 1.00 ALDH1A1 (0.44) ALDH1A1MAPTHDAC3HDAC4HDAC1
Butadiene SCHEMBL9420166 0.98 MAPT (0.42) ALDH1A1MAPTHDAC3HDAC4HDAC1
Water SCHEMBL6447465 0.98 MAPT (0.42) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL5337661 0.92 ALDH1A1 (0.42) ALDH1A1MAPTHDAC3HDAC4HDAC1
Maleic Acid SCHEMBL4613433 0.92 HDAC3 (0.55) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL29670874 0.86 MAPT (0.56) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL27118327 0.85 GLA (0.46) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL1245521 0.85 ALDH1A1 (0.44) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL26079487 0.85 ALDH1A1 (0.44) ALDH1A1MAPTHDAC3HDAC4HDAC1

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-9878487-B2 Multi-shape product SYRACUSE UNIVERSITY (US) 2018-01-30 US disclosed
US-9533469-B2 Self-healing product SYRACUSE UNIVERSITY (US) 2017-01-03 US disclosed
US-20110217547-A1 MULTI-SHAPE PRODUCT SYRACUSE UNIVERSITY (US) 2011-09-08 US disclosed
US-20110003159-A1 SELF-HEALING PRODUCT UNITED STATES DEPARTMENT OF ENERGY 2011-01-06 US disclosed