SCHEMBL20960430

SCHEMBL20960430

CC(C)C(C)CC(=O)N(C)C=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA4 P43681 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
SCHEMBL12809682 0.78 GABRP (0.37) —
SCHEMBL23641806 0.77 — —
SCHEMBL20628581 0.77 MMP1 (0.31) —
SCHEMBL24568579 0.77 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA4
SCHEMBL24568580 0.77 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA4
SCHEMBL20803525 0.75 — —
SCHEMBL24974729 0.73 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA4
SCHEMBL19221397 0.70 ALDH1A1 (0.36) CHRNB2CHRNB4CHRNA4
SCHEMBL17171319 0.70 FAAH (0.34) CHRNB2CHRNB4CHRNA4
SCHEMBL18950192 0.70 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022262789-A1 ANTITUMOR COMPOUND AND USE THEREOF 明慧医药(杭州)有限公司 2022-12-22 — — WO disclosed
EP-3769787-A1 CONJUGATES OF CYSTEINE ENGINEERED ANTIBODIES ImmunoGen, Inc. (US) 2021-01-27 — — EP disclosed
EP-3313845-B1 CONJUGATES OF CYSTEINE ENGINEERED ANTIBODIES IMMUNOGEN INC (US) 2020-08-12 — — EP disclosed
EP-2961435-B1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN INC (US) 2019-05-01 — — EP disclosed
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