SCHEMBL821141

SCHEMBL821141

CC(=CC1CCCCOC1=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
GABRG2 P18507 1/20 0.38
RXRA P19793 1/20 0.38
GABRB3 P28472 1/20 0.38
RXRB P28702 1/20 0.38
GABRB2 P47870 1/20 0.38
RXRG P48443 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
FKBP1A P62942 3/20 0.33
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL15753005 0.95 ALDH1A1 (0.39) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL2337798 0.88 ALDH1A1 (0.41) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL703230 0.88 ALDH1A1 (0.41) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL5685978 0.77 ALDH1A1 (0.32) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL12971533 0.76 PTGES (0.38) FKBP1A
SCHEMBL30578996 0.74 KDM4E (0.39) ALDH1A1TSHRTDP1KDM4E
SCHEMBL701236 0.70 KDM4E (0.38) ALDH1A1GABRA1TSHRGABRG2RXRA
Methacrylic Acid SCHEMBL424254 0.70 FKBP1A (0.35) FKBP1AKDM4E
SCHEMBL1472974 0.70 FKBP1A (0.35) FKBP1AKDM4E
Methacrylic Acid SCHEMBL29615180 0.70 FKBP1A (0.33) FKBP1A

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
EP-2929397-B1 POSITIVE WORKING PHOTOSENSITIVE MATERIAL AZ ELECTRONIC MAT LUXEMBOURG SARL (LU) 2020-03-18 EP claimed
US-20140154624-A1 POSITIVE WORKING PHOTOSENSITIVE MATERIAL AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.A.R.L. (US) 2014-06-05 US claimed
EP-2218745-B1 Prepolymer-based polyurethane formulations for producing holographic films BAYER MATERIALSCIENCE AG (DE) 2011-11-23 EP claimed
US-20140154624-A1 POSITIVE WORKING PHOTOSENSITIVE MATERIAL AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.A.R.L. (US) 2014-06-05 US disclosed