SCHEMBL9856170

SCHEMBL9856170

CCC(C)Sc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A4 P31645 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
SERPINH1 P50454 1/20 0.40
APP P05067 1/20 0.40
NR1I2 O75469 1/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL23295252 0.82 NQO1 (0.34) ALDH1A1KMT2AGAASMN1; SMN2NPC1
SCHEMBL10789684 0.79 LTA4H (0.44) CA12CA1CA2CA7CA9
SCHEMBL10795235 0.79 HTT (0.33) ALDH1A1MEN1KMT2ASLC6A4CYP1A2
SCHEMBL26976737 0.79 CA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL4192430 0.79 CA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL9038984 0.78 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL9621498 0.78 ALDH1A1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL9344641 0.77 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL12264121 0.77 KMT2A (0.47) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL10789677 0.77 PPARG (0.33) ALDH1A1KMT2AGAASMN1; SMN2NPC1

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