SCHEMBL9856089

SCHEMBL9856089

CCC(C)Oc1ccc(OC(C)CN)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.40
MAPT P10636 1/20 0.39
MCHR1 Q99705 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SLC7A5 Q01650 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
LTA4H P09960 1/20 0.36
PARP10 Q53GL7 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
SLC2A1 P11166 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
SCHEMBL122883 0.89 ACACB (0.45) ACACBMAPTMCHR1HDAC1HDAC2
SCHEMBL22563306 0.83 ST14 (0.45) ACACBLTA4H
SCHEMBL6371042 0.83 TDP1 (0.50) ACACBMAPTMCHR1HDAC1HDAC2
SCHEMBL746308 0.83 TDP1 (0.50) ACACBMAPTMCHR1HDAC1HDAC2
SCHEMBL20133454 0.83 ACHE (0.41) MAPTMTNR1AMTNR1B
SCHEMBL19286562 0.83 TDP1 (0.47) MAPTMTNR1AMTNR1B
SCHEMBL12521736 0.82 ALDH1A3 (0.48) ACACBMAPTMCHR1PARP10
SCHEMBL18260758 0.81 SLC6A4 (0.39) MTNR1AMTNR1BPARP10
SCHEMBL3592279 0.81 LDHA (0.42) MAPTMTNR1AMTNR1B
SCHEMBL6479568 0.81 LDHA (0.42) MAPTMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed
US-4697033-A INSECTICIDES SANDOZ LTD. (CH) 1987-09-29 US disclosed