SCHEMBL23959466

SCHEMBL23959466

C=CCCCCCCCCCCCNC(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
ABCC4 O15439 1/20 0.31
MAPT P10636 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
SCHEMBL840007 0.83 GRIA1 (0.32)
SCHEMBL31588184 0.79 TSHR (0.46) TSHRALDH1A1LMNAABCC4MAPT
SCHEMBL23696464 0.79 TSHR (0.46) TSHRALDH1A1LMNAABCC4MAPT
SCHEMBL24672926 0.79 TSHR (0.46) TSHRALDH1A1LMNAABCC4MAPT
SCHEMBL11745768 0.79 TSHR (0.46) TSHRALDH1A1LMNAABCC4MAPT
SCHEMBL4744735 0.77 HRH4 (0.37) ALDH1A1
SCHEMBL3690414 0.77 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL1243356 0.77 TSHR (0.42) TSHRALDH1A1LMNAABCC4MAPT
SCHEMBL27339585 0.77 KDM4E (0.32) ALDH1A1
SCHEMBL14864944 0.75 EPHX1 (0.42) TSHRALDH1A1LMNA

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
WO-2021216828-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-10-28 WO disclosed