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SCHEMBL20180997

SCHEMBL20180997

CCCCc1ccc(N(c2ccc(-c3ccc(OCCC4(CC)COC4)cc3)cc2)c2ccc(-c3ccc(N(c4ccc(CCCC)cc4)c4ccc(-c5ccc(N(c6ccc(CCCC)cc6)c6ccc(-c7cc(-c8ccc(N(c9ccc(CCCC)cc9)c9ccc(-c%10ccc(COCC%11(CC)COC%11)cc%10)cc9)cc8)cc(-c8ccc(N(c9ccc(CCCC)cc9)c9ccc(-c%10cc(-c%11ccc(N(c%12ccc(CCCC)cc%12)c%12ccc(-c%13ccc(COCC%14(CC)COC%14)cc%13)cc%12)cc%11)cc(-c%11ccc(N(c%12ccc(CCCC)cc%12)c%12ccc(-c%13ccc(COCC%14(CC)COC%14)cc%13)cc%12)cc%11)c%10)cc9)cc8)c7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLCO1B3 Q9NPD5 1/20 0.33
▸ SLCO1B1 Q9Y6L6 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ HRH3 Q9Y5N1 3/20 0.31
▸ BCHE P06276 1/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ RARA P10276 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL10071625 0.91 RARB (0.33) HRH3RARB
SCHEMBL13581284 0.88 MEN1 (0.31) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL10331069 0.87 RARB (0.35) CYP3A4MEN1ALDH1A1LMNAKMT2A
SCHEMBL10071624 0.81 TDP1 (0.37) HRH3RARB
SCHEMBL10071630 0.80 TSHR (0.33) —
SCHEMBL26002060 0.79 NAAA (0.32) —
SCHEMBL18674328 0.79 TDP1 (0.42) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL13581283 0.79 — —
SCHEMBL10331065 0.79 — —
SCHEMBL18674329 0.78 TDP1 (0.41) CYP3A4MEN1USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10840451-B2 Organic electronic material, ink composition containing same, and organic thin film, organic electronic element, organic eletroluminescent element, lighting device, and display device formed therewith HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-11-17 — — US disclosed
US-20180145257-A1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION CONTAINING SAME, AND ORGANIC THIN FILM, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELETROLUMINESCENT ELEMENT, LIGHTING DEVICE, AND DISPLAY DEVICE FORMED THEREWITH RESONAC CORPORATION (JP) 2018-05-24 — — US disclosed