SCHEMBL8913555

SCHEMBL8913555

COc1cc(C(C)C)ccc(C2Sc3ccccc3N2CCCNCCc2ccccc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SLC2A1 P11166 2/20 0.37
▸ SIGMAR1 Q99720 3/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ ADRB2 P07550 4/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ DRD1 P21728 3/20 0.34
▸ DRD4 P21917 3/20 0.34
▸ DRD3 P35462 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ MYOF Q9NZM1 1/20 0.34
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL7447285 0.89 RAB9A (0.42) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL7449927 0.85 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL8804534 0.82 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL8805992 0.82 RAB9A (0.45) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL7442181 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL7441237 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL7493819 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL7442622 0.78 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL7436869 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL7444167 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD

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-5703071-A Tropolone derivatives and pharmaceutical composition thereof for preventing and treating ischemic diseases PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 — — US disclosed
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