SCHEMBL11270115

SCHEMBL11270115

COc1cccc2c1OC1(C)CC(NC=O)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 1/20 0.36
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.31
P2RX7 Q99572 1/20 0.31
TERT O14746 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HTR1A P08908 1/20 0.30
CNR2 P34972 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL11270106 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AHPGDLMNAPOLB
Hydrochloric Acid SCHEMBL11272076 0.85 ALDH1A1 (0.42) ALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL11272071 0.85 ALDH1A1 (0.42) ALDH1A1HPGDLMNA
SCHEMBL11274580 0.83 MTNR1A (0.42) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL11274596 0.83 MTNR1A (0.42) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
Hydrochloric Acid SCHEMBL11260985 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AP2RX7USP2HTR1A
Hydrochloric Acid SCHEMBL11260971 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AP2RX7USP2HTR1A
SCHEMBL11274035 0.78 ALDH1A1 (0.44) ALDH1A1HPGDLMNAHTR1A
SCHEMBL11274038 0.78 ALDH1A1 (0.44) ALDH1A1HPGDLMNAHTR1A
SCHEMBL11262872 0.78 KMT2A (0.51) KMT2ALMNATSHRSMN1; SMN2NPSR1

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-4315006-A Benzoxocin derivatives having anxiolytic and anti-convulsant activities GLAXO GROUP LIMITED (GB) 1982-02-09 US disclosed
EP-0024843-A1 3,4,5,6-Tetrahydro-2,6-methano-4 beta-amino-1-benzoxocin derivatives, process for their preparation and compositions containing them GLAXO GROUP LIMITED (GB) 1981-03-11 EP disclosed