SCHEMBL7735405

SCHEMBL7735405

O=S(=O)(O)c1ccc(CCC2CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
MAOB P27338 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
ATM Q13315 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GPR84 Q9NQS5 1/20 0.38
TSHR P16473 1/20 0.38
NT5E P21589 1/20 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
SCHEMBL12453115 0.98 DAO (0.43) DAOMAOBMEN1USP2CYP3A4
SCHEMBL20573232 0.97 MAOB (0.40) DAOMAOBLMNAALDH1A1GPR84
SCHEMBL963564 0.85 KCNH2 (0.44) DAOMAOBLMNAALDH1A1TSHR
SCHEMBL8945004 0.85 MAOB (0.43) MAOBLMNAALDH1A1GPR84
SCHEMBL23387581 0.83 GPR84 (0.37) MAOBALDH1A1GPR84
SCHEMBL962354 0.83 RORC (0.38) MAOBLMNAGPR84
SCHEMBL8763564 0.82 MEN1 (0.46) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL934408 0.81 CEL (0.42) DAOMAOBMEN1USP2CYP3A4
SCHEMBL12453121 0.81 KMT2A (0.44) MEN1KMT2A
SCHEMBL21192386 0.81 LMNA (0.38) MAOBTDP1LMNAALDH1A1TSHR

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-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed