SCHEMBL7969008

SCHEMBL7969008

CCCNCC(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
REN P00797 6/20 0.44
SIGMAR1 Q99720 2/20 0.43
EBP Q15125 1/20 0.43
GRIA4 P48058 3/20 0.41
ACACB O00763 3/20 0.40
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HTR1D P28221 1/20 0.36

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
SCHEMBL7965870 0.91 REN (0.51) TP53TSHRRENSIGMAR1EBP
SCHEMBL7966471 0.80 TP53 (0.51) TP53TSHRRENSIGMAR1EBP
SCHEMBL19026636 0.78 TP53 (0.50) TP53TSHRRENSIGMAR1EBP
SCHEMBL10223555 0.75 CA1 (0.54) ANPEPERAP2KDM4E
SCHEMBL2367040 0.75 TP53 (0.47) TP53TSHRRENSIGMAR1EBP
Hydrochloric Acid SCHEMBL31169758 0.74 CA1 (0.54) ANPEPERAP2KDM4E
SCHEMBL7967362 0.72 ANPEP (0.43) TP53TSHRSIGMAR1EBPANPEP
SCHEMBL10667108 0.72 TSHR (0.55) TP53TSHRRENSIGMAR1EBP
SCHEMBL8323180 0.72 TSHR (0.55) TP53TSHRRENSIGMAR1EBP
SCHEMBL8678455 0.72 TSHR (0.55) TP53TSHRRENSIGMAR1EBP

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-6271385-B1 FUNGICIDES (SUCH AS THOSE FOR USE IN FARMING AND HORTICULTURE). KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-1020441-A1 N-HETEROCYCLIC METHYLPROPYLAMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND GERMICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 EP disclosed