SCHEMBL31609270

SCHEMBL31609270

COc1cc2c3cc(OC)c(OC)cc3n(CCCCP(=O)(O)O)c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.42
▸ PGR P06401 1/20 0.39
▸ RORA P35398 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ RORB Q92753 1/20 0.39
▸ ENPP1 P22413 1/20 0.38
▸ TBXAS1 P24557 1/20 0.38
▸ S1PR2 O95136 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ LPAR2 Q9HBW0 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35

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
SCHEMBL31609260 0.82 PSEN1 (0.47) PGRRORARORCRORBMAOA
SCHEMBL31609262 0.80 HASPIN (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26597789 0.80 MAOA (0.56) PGRRORARORCRORBTBXAS1
SCHEMBL30491695 0.80 MAOA (0.56) PGRRORARORCRORBTBXAS1
SCHEMBL31240091 0.79 MAOA (0.59) TYMPPGRRORARORCRORB
SCHEMBL31609264 0.78 MTNR1A (0.39) S1PR2S1PR1S1PR3LPAR2ALDH1A1
SCHEMBL31609299 0.78 KMT2A (0.40) ENPP1S1PR2S1PR1S1PR3LPAR2
SCHEMBL31609247 0.76 MAOA (0.40) PGRRORARORCRORBALDH1A1
SCHEMBL25186781 0.75 RORA (0.48) TYMPPGRRORARORCRORB
SCHEMBL29827288 0.75 RORA (0.48) TYMPPGRRORARORCRORB

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
US-20250185446-A1 HOLE-TRANSPORTING SELF-ORGANISED MONOLAYER FOR PEROVSKITE SOLAR CELLS HELMHOLTZ-ZENTRUM BERLIN FÜR MATERIALIEN UND ENERGIE GMBH (DE) 2025-06-05 — — US disclosed
Send feedback