SCHEMBL21431262

SCHEMBL21431262

CCCCCC/C(=N\OC(C)=O)C(=O)c1ccc2c(c1)C(CCSCC)(CCSCC)c1cc(C(=O)/C(CCCCCC)=N/OC(C)=O)ccc1-2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RXRA P19793 1/20 0.30
▸ HNF4A P41235 1/20 0.30
▸ HSD17B3 P37058 5/20 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
SCHEMBL21431271 0.85 RXRA (0.33) RXRAHNF4AHSD17B3
SCHEMBL24490481 0.85 PDK2 (0.36) —
SCHEMBL24490462 0.85 PDK2 (0.36) —
SCHEMBL24490485 0.85 PDK2 (0.36) —
SCHEMBL21431283 0.83 CETP (0.35) ALDH1A1
SCHEMBL24490482 0.82 PDK2 (0.36) —
SCHEMBL21431242 0.82 HSD17B3 (0.31) MAPTHSD17B3
SCHEMBL18012761 0.82 KMT2A (0.31) MAPTALDH1A1RXRAHNF4AHSD17B3
SCHEMBL21431260 0.81 CES2 (0.34) MAPTALDH1A1RXRAHNF4A
SCHEMBL21431267 0.80 CYP2C19 (0.31) —

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-2019188717-A1 COMPOUND, RADICAL POLYMERIZATION INITIATOR, COMPOSITION, CURED PRODUCT AND METHOD FOR PRODUCING CURED PRODUCT 株式会社ADEKA 2019-10-03 — — WO disclosed
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