SCHEMBL29191718

SCHEMBL29191718

CCC(C)c1cc(C(N)=O)c2c(C(N)=O)ccc3c4ccc(C(=O)O)c5c(C(=O)O)ccc(c1c23)c54

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 3/20 0.40
▸ CYP1A2 P05177 1/20 0.35
▸ PPARA Q07869 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CAMKK1 Q8N5S9 1/20 0.30
▸ CAMKK2 Q96RR4 1/20 0.30
▸ GRM1 Q13255 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ GRM8 O00222 1/20 0.30
▸ GRM6 O15303 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 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
SCHEMBL29209225 0.82 ACE2 (0.34) ACE2CYP1A2CAMKK1CAMKK2
SCHEMBL28842963 0.82 ACE2 (0.33) ACE2CYP1A2PPARAALDH1A1KDM4E
SCHEMBL28736817 0.80 PPARA (0.36) ACE2CYP1A2PPARAALDH1A1KDM4E
SCHEMBL29260898 0.79 CYP1A2 (0.41) ACE2CYP1A2PPARAALDH1A1KDM4E
SCHEMBL27736202 0.79 CYP1A2 (0.41) ACE2CYP1A2PPARAALDH1A1KDM4E
SCHEMBL29191898 0.79 POLB (0.36) ACE2CYP1A2ALDH1A1CAMKK2MEN1
SCHEMBL9869468 0.76 CYP1A2 (0.61) CYP1A2ALDH1A1KDM4EGRM1MEN1
SCHEMBL28479066 0.76 CYP1A2 (0.61) CYP1A2ALDH1A1KDM4EGRM1MEN1
SCHEMBL29354784 0.76 CYP1A2 (0.61) CYP1A2ALDH1A1KDM4EGRM1MEN1
SCHEMBL29250333 0.76 CYP1A2 (0.61) CYP1A2ALDH1A1KDM4EGRM1MEN1

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-117898038-A Light receiving device, light receiving/emitting device, and electronic apparatus 株式会社半导体能源研究所 2024-04-16 — — CN disclosed
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