SCHEMBL20747281

SCHEMBL20747281

CC(C)C(C)C(=O)OCCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.38
▸ CPB2 Q96IY4 1/20 0.33
▸ ODC1 P11926 1/20 0.33
▸ GABRR1 P24046 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PAOX Q6QHF9 1/20 0.32
▸ GABRR3 A8MPY1 1/20 0.31
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ GABBR2 O75899 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRR2 P28476 1/20 0.31
▸ SLC6A1 P30531 1/20 0.31

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
SCHEMBL14391440 0.82 CYP1A2 (0.40) CYP1A2CPB2ODC1GABRR1ALDH1A1
SCHEMBL17212387 0.81 SMN1; SMN2 (0.35) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL29208187 0.80 CYP1A2 (0.39) CYP1A2CPB2ODC1GABRR1ALDH1A1
SCHEMBL25928833 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL17403977 0.80 ALDH1A1 (0.54) CYP1A2ALDH1A1LMNATSHRNPSR1
SCHEMBL7224938 0.80 ALDH1A1 (0.54) CYP1A2ALDH1A1LMNATSHRNPSR1
SCHEMBL16645017 0.80 CYP1A2 (0.39) CYP1A2CPB2ODC1GABRR1ALDH1A1
SCHEMBL7224840 0.78 NAAA (0.52) ALDH1A1LMNATSHRNPSR1
SCHEMBL10049498 0.77 CYP1A2 (0.41) CYP1A2CPB2GABRR1ALDH1A1HTR2C
SCHEMBL7223840 0.77 NAAA (0.55) ALDH1A1LMNATSHRNPSR1

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
US-10208225-B2 Fluoro copolymers, immobilization of biomolecules, and microarrays CHIARI MARCELLA (IT) 2019-02-19 — — US disclosed
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