SCHEMBL25005649

SCHEMBL25005649

CC(C)CC(CCS)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL9989406 0.75 TSHR (0.41) ANPEPERAP2ERAP1ALDH1A1TSHR
SCHEMBL5932811 0.74
SCHEMBL7391772 0.74 TSHR (0.33) ALDH1A1TSHRMAPK1
SCHEMBL19979728 0.74 HTR2A (0.32)
SCHEMBL15065475 0.72 TSHR (0.36) ANPEPERAP2ERAP1ALDH1A1TSHR
SCHEMBL12372465 0.72 ALDH1A1 (0.36) ANPEPERAP2ERAP1ALDH1A1TSHR
SCHEMBL11240172 0.72 ALDH1A1 (0.30) ALDH1A1TSHRMAPK1
SCHEMBL16151580 0.72 TSHR (0.32) TSHR
SCHEMBL19245830 0.72 ALDH1A1 (0.30) ALDH1A1TSHRMAPK1
SCHEMBL5932532 0.71

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-2023014938-A1 1'-ALKYL MODIFIED RIBOSE DERIVATIVES AND METHODS OF USE SANEGENE BIO USA INC. (US) 2023-02-09 WO disclosed