SCHEMBL10459608

SCHEMBL10459608

CCCC[C@H]1c2ccoc2CC[C@@H]1O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.32
CYP19A1 P11511 1/20 0.31
TBXAS1 P24557 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL10459610 1.00 GID4 (0.32) GID4CYP19A1TBXAS1MEN1KMT2A
SCHEMBL27340117 0.66 ELANE (0.36) MEN1KMT2A
SCHEMBL10386957 0.65 CYP1A2 (0.43) MEN1KMT2A
SCHEMBL18950788 0.64 SIGMAR1 (0.40)
SCHEMBL7508090 0.63 CYP19A1 (0.42) GID4CYP19A1TBXAS1
SCHEMBL878673 0.62 TSHR (0.38)
SCHEMBL8231663 0.62 HTR2C (0.49) CYP19A1
SCHEMBL15423553 0.57
SCHEMBL3296184 0.56 BCHE (0.44)
SCHEMBL25675768 0.56 PDPK1 (0.44)

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-4966907-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS MERCK & CO., INC. (US) 1990-10-30 US disclosed