SCHEMBL29757199

SCHEMBL29757199

Nc1ccc(OC2=CC=CC(Oc3ccc(N)cc3)(C(=O)O)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOA P21397 2/20 0.34
MAPT P10636 1/20 0.30
TEAD4 Q15561 1/20 0.30
MAOB P27338 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
SCHEMBL30835358 0.92 MEN1 (0.46) PARP10ALDH1A1MAOAMAPTMAOB
SCHEMBL31676705 0.74 ALDH1A1 (0.35) PARP10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL29958556 0.71 MAOB (0.40) PARP10ALDH1A1CYP3A4MAPTMAOB
SCHEMBL28400917 0.61 TDP1 (0.34) ALDH1A1CYP3A4TSHRTDP1MAOA
Urea SCHEMBL28271688 0.60 PARP10 (0.75) PARP10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18727635 0.60 ALDH1A1 (0.46) PARP10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL10613888 0.59 ALDH1A1 (0.45) PARP10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL6869389 0.58 PARP10 (0.70) PARP10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL901040 0.58 PARP10 (0.70) PARP10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL6849682 0.58 CYP3A4 (0.31) ALDH1A1CYP3A4TDP1

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-110554537-B Varnish for photo-alignment film and liquid crystal display device 株式会社日本显示器 2022-05-10 CN disclosed