SCHEMBL1271005

SCHEMBL1271005

CCCCCCCCSc1nc(Nc2ccc(O)cc2)nc(SCCCCCCCC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ AURKA O14965 3/20 0.42
▸ KCNH3 Q9ULD8 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ESR1 P03372 3/20 0.38
▸ ADRA2A P08913 2/20 0.38
▸ ADORA3 P0DMS8 2/20 0.38
▸ TACR2 P21452 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38

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
SCHEMBL2586866 0.81 CCNE1 (0.37) CCNE1CDK2SMN1; SMN2LMNANPC1
SCHEMBL2211671 0.81 GPR84 (0.39) CCNE1CDK2SMN1; SMN2LMNANPC1
SCHEMBL9418551 0.80 CCNE1 (0.36) CCNE1CDK2SMN1; SMN2LMNANPC1
SCHEMBL21821559 0.80 CCNE1 (0.36) CCNE1CDK2SMN1; SMN2LMNANPC1
SCHEMBL3284127 0.80 CCNE1 (0.36) CCNE1CDK2SMN1; SMN2LMNANPC1
SCHEMBL11813280 0.80 KCNH3 (0.55) KCNH3SMN1; SMN2NPC1MAPK1RAB9A
SCHEMBL11250028 0.80 GPR84 (0.37) CCNE1CDK2SMN1; SMN2LMNANPC1
Phenol SCHEMBL8576808 0.79 PPARG (0.39) CCNE1CDK2KCNH3SMN1; SMN2ESR1
SCHEMBL1925518 0.79 GPR84 (0.37) CCNE1CDK2SMN1; SMN2LMNANPC1
SCHEMBL31099434 0.78 CCNE1 (0.44) CCNE1CDK2SMN1; SMN2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024048455-A1 MOISTURE-CURABLE RESIN COMPOSITION 株式会社スリーボンド 2024-03-07 — — WO disclosed
WO-2023171578-A1 THERMOPLASTIC RESIN, METHOD FOR PRODUCING SAME, THERMOPLASTIC RESIN COMPOSITION AND MOLDED BODY 三菱瓦斯化学株式会社 2023-09-14 — — WO disclosed
WO-2011014527-A2 SOLID ALKYLARYL PHOSPHITE COMPOSITIONS AND METHODS FOR MANUFACTURING SAME Chemtura Coproration (US) 2011-02-03 — — WO disclosed
US-7862868-B2 Ink-jet recording material FERRANIA TECHNOLOGIES, S.P.A. (IT) 2011-01-04 — — US disclosed
US-20080138544-A1 Ink-Jet Recording Material FERRANIA TECHNOLOGIES, S.P.A. 2008-06-12 — — US disclosed
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