SCHEMBL8522112

SCHEMBL8522112

COc1ccc2c(c1)c(O)nn2CCCOc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HTR5A P47898 2/20 0.40

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
SCHEMBL8521495 0.85 PLA2G2A (0.51) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL8446764 0.80 CNR1 (0.58) KMT2AMAPT
SCHEMBL6973555 0.78 ACHE (0.48) LMNAALDH1A1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL8628457 0.78 HRH1 (0.52) GAAALDH1A1KMT2AKDM4EMAPT
SCHEMBL8624583 0.77 HRH1 (0.46) TP53ALDH1A1KMT2AKDM4EMEN1
SCHEMBL8450448 0.76 AKR1C3 (0.51) KMT2AMAPTL3MBTL1RAB9A
SCHEMBL8625863 0.76 PLA2G2A (0.53) GAAALDH1A1KMT2AKDM4EMAPT
SCHEMBL8522103 0.75 GAA (0.49) LMNAGAATP53ALDH1A1KMT2A
SCHEMBL8522105 0.75 GAA (0.49) LMNAGAATP53ALDH1A1KMT2A
SCHEMBL8627812 0.75 GABRA1 (0.48) KMT2AMEN1HRH3POLBGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US claimed
EP-0888307-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-01-07 EP disclosed
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US disclosed
WO-1997034874-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1997-09-25 WO disclosed