SCHEMBL7383386

SCHEMBL7383386

COc1cc(COCCCCN2CC[CH]CC2)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.43
▸ MAOA P21397 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.42
▸ PABPC1 P11940 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ABCB1 P08183 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ POLB P06746 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
SCHEMBL7389275 0.99 MAOB (0.45) MAOBMAOAALDH1A1TSHRSMN1; SMN2
SCHEMBL7391448 0.87 SIGMAR1 (0.53) ALDH1A1TSHRSMN1; SMN2NPSR1HRH3
SCHEMBL7385165 0.86 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2NPSR1HRH3
SCHEMBL7394195 0.84 ALDH1A1 (0.55) MAOBMAOAALDH1A1TSHRSMN1; SMN2
SCHEMBL7387357 0.82 ALDH1A1 (0.57) MAOBMAOAALDH1A1TSHRSMN1; SMN2
SCHEMBL7390483 0.80 KDM4E (0.50) ALDH1A1TSHRABCB1SIGMAR1
SCHEMBL7387064 0.79 KDM4E (0.49) ALDH1A1TSHRABCB1SIGMAR1
SCHEMBL7387110 0.77 LTA4H (0.57) ALDH1A1NPSR1HRH3KMT2ASIGMAR1
SCHEMBL7392760 0.76 ALDH1A1 (0.71) ALDH1A1TSHRSMN1; SMN2NPSR1HRH3
SCHEMBL7388987 0.75 LTA4H (0.56) ALDH1A1NPSR1HRH3KMT2ASIGMAR1

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-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 — — US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 — — EP disclosed
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