SCHEMBL30096973

SCHEMBL30096973

CCCCCOc1ccc(-c2ccc(OCCCCC)c(C(C)C)c2)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 5/20 0.47
▸ PTPN1 P18031 1/20 0.44
▸ PTPN6 P29350 1/20 0.44
▸ CYSLTR2 Q9NS75 3/20 0.41
▸ CYSLTR1 Q9Y271 3/20 0.41
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ DAPK3 O43293 1/20 0.39

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
SCHEMBL6274502 0.91 RARB (0.50) PTPN11PTPN1PTPN6CYSLTR2CYSLTR1
SCHEMBL12952630 0.85 ALDH1A1 (0.50) CYSLTR2CYSLTR1THRATHRBMEN1
SCHEMBL12889914 0.79 CALM1 (0.42) PPARGMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL13957128 0.78 PTPN11 (0.55) PTPN11PTPN1PTPN6ALDH1A1CHUK
SCHEMBL1776071 0.78 PTPN11 (0.55) PTPN11PTPN1PTPN6ALDH1A1CHUK
SCHEMBL2856448 0.78 PTPN11 (0.55) PTPN11PTPN1PTPN6ALDH1A1CHUK
SCHEMBL28319408 0.78 PTPN11 (0.55) PTPN11PTPN1PTPN6ALDH1A1CHUK
SCHEMBL29827571 0.78 PTPN11 (0.46) PTPN11PTPN1PTPN6THRBMEN1
SCHEMBL18030223 0.78 CYP1A2 (0.39) CYSLTR2CYSLTR1PPARGMEN1CYP1A2
SCHEMBL13240539 0.77 THRA (0.43) THRATHRBPPARGMEN1CYP1A2

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
CN-115385796-A Benzophenanthrene charge transfer compound and synthesis method thereof 北京印刷学院 2022-11-25 — — CN claimed
CN-115385796-A Benzophenanthrene charge transfer compound and synthesis method thereof 北京印刷学院 2022-11-25 — — CN disclosed
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