SCHEMBL11577618

SCHEMBL11577618

COc1ccc(CC(=O)O)c(Oc2ccc(C)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.63
CAMK2A Q9UQM7 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 3/20 0.48
AKR1C2 P52895 3/20 0.48
AKR1C3 P42330 2/20 0.48
PTGS1 P23219 1/20 0.48
LCK P06239 1/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
AHR P35869 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABL1 P00519 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
RIN1 Q13671 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44

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
SCHEMBL6175515 0.90 CAMK2A (0.68) HSD17B10CAMK2AMEN1KMT2AKDM4E
SCHEMBL1097902 0.84 HSD17B10 (0.75) HSD17B10MEN1KMT2AKDM4EAKR1C2
SCHEMBL30831943 0.84 HSD17B10 (0.75) HSD17B10MEN1KMT2AKDM4EAKR1C2
Hydrochloric Acid SCHEMBL2527027 0.83 HSD17B10 (0.73) HSD17B10MEN1KMT2AKDM4EAKR1C2
SCHEMBL11576474 0.81 SLC6A4 (0.47) HSD17B10MEN1KMT2AKDM4ENPC1
SCHEMBL11577525 0.80 HSD17B10 (0.55) HSD17B10CAMK2ASMN1; SMN2MAPTSRC
SCHEMBL6864121 0.80 HSD17B10 (0.56) HSD17B10CAMK2AMEN1KMT2AKDM4E
SCHEMBL3735319 0.79 HSD17B10 (0.59) HSD17B10KDM4EAKR1C2AKR1C3PTGS1
SCHEMBL23229043 0.79 HSD17B10 (0.62) HSD17B10MEN1KMT2AKDM4EAKR1C2
SCHEMBL11575891 0.78 SLC6A4 (0.50) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4118572-A CNS DEPRESSANTS, NEUROLEPTIC AGENTS, SCHIZOPHRENIA, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-10-03 US disclosed
US-4105664-A Dibenz[b,f]oxepin derivatives HOFFMANN-LA ROCHE INC. (US) 1978-08-08 US disclosed
US-4100173-A DEPRESSANTS, SCHIZOPHRENIA, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-07-11 US disclosed
US-4091023-A ANTISCHIZOPHRENIA AGENTS, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-05-23 US disclosed
US-4032525-A CNS DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1977-06-28 US disclosed