SCHEMBL29945111

SCHEMBL29945111

Cc1c(Br)cccc1/C=C/B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.37

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
SCHEMBL28863801 1.00 AKR1C3 (0.37) AKR1C3
SCHEMBL28863799 1.00 AKR1C3 (0.37) AKR1C3
SCHEMBL28430003 0.87 AKR1C3 (0.41) AKR1C3
SCHEMBL21451420 0.83 ALDH1A1 (0.34) AKR1C3
SCHEMBL20294481 0.79 PDCD1 (0.40) —
SCHEMBL20294494 0.79 PDCD1 (0.40) —
SCHEMBL20294484 0.79 PDCD1 (0.40) —
SCHEMBL28687406 0.78 ALDH1A1 (0.39) AKR1C3
SCHEMBL20741473 0.78 ALDH1A1 (0.39) AKR1C3
SCHEMBL24300636 0.74 CHAT (0.43) —

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-115232125-A Multi-substituted benzene immunomodulatory compounds, compositions and uses thereof 杭州和正医药有限公司 2022-10-25 — — CN disclosed
Send feedback