SCHEMBL10620508

SCHEMBL10620508

CC(C=Cc1ccccc1)=C(C(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
GLA P06280 1/20 0.64
MAPT P10636 4/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
PLIN1 O60240 2/20 0.57
RECQL P46063 2/20 0.57
PLIN5 Q00G26 2/20 0.57
ABHD5 Q8WTS1 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
F3 P13726 2/20 0.57
TNKS O95271 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57

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
SCHEMBL221211 0.84 TDP1 (0.64) TDP1GLAMAPTLMNAALDH1A1
SCHEMBL3127156 0.84 TDP1 (0.64) TDP1GLAMAPTLMNAALDH1A1
SCHEMBL2461238 0.81 GLA (0.60) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL12984182 0.79 TDP1 (1.00) TDP1GLAMAPTLMNAALDH1A1
SCHEMBL27702239 0.79 GLA (0.61) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL76632 0.79 TDP1 (1.00) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL312972 0.79 TDP1 (1.00) TDP1GLAMAPTLMNAALDH1A1
SCHEMBL8922166 0.78 ALDH1A1 (0.57) TDP1GLAMAPTLMNAALDH1A1
SCHEMBL10581527 0.78 GLA (0.56) TDP1GLAMAPTLMNAALDH1A1
SCHEMBL3970920 0.78 HDAC3 (0.60) TDP1GLAMAPTLMNAALDH1A1

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
WO-1988009783-A1 POLYMERIC ULTRAVIOLET LIGHT ABSORBERS BIOPOLYMERS LIMITED (AU) 1988-12-15 WO claimed