SCHEMBL9818019

SCHEMBL9818019

O=C1CC(c2ccccc2O)C(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 16/20 0.61
LMNA P02545 1/20 0.54
CYP19A1 P11511 1/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL28155131 0.91 IDO1 (0.52) IDO1LMNACYP19A1DDB1CRBN
SCHEMBL6275913 0.80 BRD4 (0.44) IDO1LMNAALDH1A1CYP2C19
SCHEMBL6918058 0.79 IDO1 (0.61) IDO1LMNACYP19A1DDB1CRBN
SCHEMBL30325218 0.79 IDO1 (0.61) IDO1LMNACYP19A1DDB1CRBN
SCHEMBL5323542 0.79 IDO1 (0.61) IDO1LMNAALDH1A1
SCHEMBL2529914 0.79 DDB1 (0.71) IDO1LMNACYP19A1DDB1CRBN
SCHEMBL28972311 0.79 IDO1 (0.61) IDO1LMNAALDH1A1CYP2C19ABCG2
SCHEMBL18648917 0.77 LMNA (0.46) LMNAALDH1A1
SCHEMBL9387969 0.76 IDO1 (1.00) IDO1LMNACYP19A1DDB1CRBN
Bromide SCHEMBL28839335 0.75 IDO1 (0.97) IDO1LMNADDB1CRBN

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
EP-0302643-B1 LACTONE-MODIFIED MANNICH BASE DISPERSANT ADDITIVES USEFUL IN OLEAGINOUS COMPOSITIONS EXXON CHEMICAL PATENTS INC. (US) 1991-11-21 EP disclosed