SCHEMBL4865259

SCHEMBL4865259

C=Cc1ccc(C=C)cc1.CC=C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
AKR1C3 P42330 1/20 0.47
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
PTGS2 P35354 2/20 0.36
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CAPN1 P07384 1/20 0.34
CAPN2 P17655 1/20 0.34
TBXAS1 P24557 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL10695305 0.92 AKR1C3 (0.41) ALDH1A1AKR1C3TSHRTDP1HTT
4-Vinylphenol SCHEMBL8380331 0.92 ALDH1A1 (0.44) ALDH1A1AKR1C3TSHRTDP1PTGS2
Styrene SCHEMBL134355 0.92 AKR1C3 (0.59) ALDH1A1AKR1C3TSHRTDP1HDAC8
Styrene SCHEMBL238869 0.92 AKR1C3 (0.59) ALDH1A1AKR1C3TSHRTDP1HDAC8
Styrene SCHEMBL93464 0.88 AKR1C3 (0.55) ALDH1A1AKR1C3TSHRTDP1HDAC8
Styrene SCHEMBL1126458 0.88 AKR1C3 (0.55) ALDH1A1AKR1C3TSHRTDP1HDAC8
Styrene SCHEMBL11043969 0.88 AKR1C3 (0.55) ALDH1A1AKR1C3TSHRTDP1HDAC8
SCHEMBL3802153 0.87 JUN (0.40) ALDH1A1AKR1C3TSHRPTGS2MAPT
Styrene SCHEMBL5669174 0.87 AKR1C3 (0.53) ALDH1A1AKR1C3TSHRTDP1PTGS2
Styrene SCHEMBL9507947 0.87 AKR1C3 (0.53) ALDH1A1AKR1C3TSHRTDP1HDAC8

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
CN-103524653-B The preparation of polymeric hollow microsphere 南亚塑胶工业股份有限公司 2016-09-21 CN disclosed
US-7427467-B2 Silver salt photothermographic dry imaging material KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-09-23 US disclosed
EP-1717635-A1 Silver salt photothermographic dry imaging material Konica Minolta Medical & Graphic Inc. (JP) 2006-11-02 EP disclosed
US-20060240367-A1 Silver salt photothermographic dry imaging material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2006-10-26 US disclosed