SCHEMBL28416660

SCHEMBL28416660

Nc1ccc(C(=O)O)c(Oc2ccccc2-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.47
MAPT P10636 4/20 0.44
CYP3A4 P08684 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PTPN1 P18031 2/20 0.44
GAA P10253 1/20 0.44
ESR2 Q92731 1/20 0.44
HTT P42858 1/20 0.43
FABP3 P05413 2/20 0.43
FABP5 Q01469 2/20 0.43
FABP7 O15540 1/20 0.43
HNF4A P41235 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
MCL1 Q07820 3/20 0.40

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
SCHEMBL28409341 0.88 NCOA1 (0.54) ALDH1A1NCOA1NCOA3PTGDR2MAPT
SCHEMBL28212640 0.85 ALDH1A1 (0.50) ALDH1A1NCOA1NCOA3PTGDR2MAPT
SCHEMBL9247694 0.82 HTT (0.61) ALDH1A1NCOA1NCOA3MAPTKDM4E
SCHEMBL3274453 0.80 ALDH1A1 (0.62) ALDH1A1MAPTCYP3A4KDM4EPTPN1
SCHEMBL11427902 0.79 RXRA (0.47) ALDH1A1KDM4EPTPN1HTTRXRA
Hydrochloric Acid SCHEMBL5755088 0.78 ALDH1A1 (0.60) ALDH1A1MAPTCYP3A4KDM4EPTPN1
SCHEMBL3628204 0.78 ALDH1A1 (0.60) ALDH1A1MAPTCYP3A4KDM4EPTPN1
SCHEMBL28418696 0.78 NCOA1 (0.56) NCOA1NCOA3KDM4EFABP3FABP5
SCHEMBL451330 0.77 MAPT (0.55) ALDH1A1PTGDR2MAPTCYP3A4KDM4E
SCHEMBL31377031 0.77 MAPT (0.55) ALDH1A1PTGDR2MAPTCYP3A4KDM4E

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
CN-111303422-A Polyimide resin for positive photoresist and preparation method thereof 上海极紫科技有限公司 2020-06-19 CN disclosed