SCHEMBL30575788

SCHEMBL30575788

CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C\C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.63
▸ CYP3A4 P08684 3/20 0.63
▸ ALOX15 P16050 2/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ KDM4E B2RXH2 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ RXRA P19793 14/20 0.45
▸ RXRB P28702 9/20 0.45
▸ RXRG P48443 8/20 0.45
▸ RARB P10826 9/20 0.43
▸ RARG P13631 9/20 0.43
▸ RARA P10276 7/20 0.43
▸ PPARG P37231 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PTGS1 P23219 3/20 0.39
▸ RORC P51449 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HTR2B P41595 2/20 0.39

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
SCHEMBL12493700 1.00 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL15609079 1.00 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL15609523 0.94 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL9856621 0.94 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL12494830 0.94 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL12494087 0.94 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL5532432 0.94 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL14566205 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL954796 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL954794 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023173066-A1 BIOSYNTHESIS OF ABSCISIC ACID AND ABSCISIC ACID PRECURSORS GINKGO BIOWORKS, INC. (US) 2023-09-14 — — WO claimed
WO-2023173066-A1 BIOSYNTHESIS OF ABSCISIC ACID AND ABSCISIC ACID PRECURSORS GINKGO BIOWORKS, INC. (US) 2023-09-14 — — WO disclosed
Send feedback