SCHEMBL7967509

SCHEMBL7967509

COc1ccc2c(c1OC)CCC(=O)C2SC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
PARP1 P09874 1/20 0.46
ACHE P22303 2/20 0.42
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 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
SCHEMBL28851736 0.78 KDM4E (0.50) KDM4EALDH1A1HPGDPARP1ACHE
SCHEMBL50426 0.77 KDM4E (0.49) KDM4EALDH1A1HPGDPARP1ACHE
SCHEMBL11978323 0.69 KDM4E (0.41) KDM4EALDH1A1HPGDPARP1ACHE
SCHEMBL13708660 0.68 PARP1 (0.49) KDM4EALDH1A1HPGDPARP1ACHE
SCHEMBL2464529 0.67 ADRA1A (0.49) KDM4EALDH1A1HPGDPARP1ACHE
SCHEMBL2466147 0.67 ADRA1A (0.49) KDM4EALDH1A1HPGDPARP1ACHE
SCHEMBL354017 0.67 ADRA1A (0.49) KDM4EALDH1A1HPGDPARP1ACHE
SCHEMBL13616708 0.67 POLL (0.49) KDM4EALDH1A1HPGDPARP1ACHE
SCHEMBL8501452 0.67 CYP2D6 (0.35) KDM4EALDH1A1GAACYP3A4LMNA
SCHEMBL354324 0.66 KDM4E (1.00) KDM4EALDH1A1HPGDPARP1ACHE

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-6262064-B1 AN ACTAHYDROBENZO(F)QUINOLINE-BASED COMPOUND THE BOARD OF GOVERNORS FOR HIGHER EDUCATION 2001-07-17 US disclosed
US-5863928-A TREATMENT OF PSYCHOTIC DISORDERS, PARKINSON'S DISEASE; SEDATIVES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION THE STATE OF RHODE ISLAND AND PROVIDENCE PLANTATION. (US) 1999-01-26 US disclosed