SCHEMBL7965870

SCHEMBL7965870

CCCCNCC(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.51
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GRIA4 P48058 1/20 0.39
ACACB O00763 2/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL7969008 0.91 TP53 (0.50) RENTP53TSHREBPSIGMAR1
SCHEMBL3233084 0.77 HRH4 (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7966471 0.77 TP53 (0.51) RENTP53TSHREBPSIGMAR1
SCHEMBL19026636 0.76 TP53 (0.50) RENTP53TSHREBPSIGMAR1
SCHEMBL10466226 0.74 KCNH2 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2367040 0.73 TP53 (0.47) RENTP53TSHREBPSIGMAR1
SCHEMBL9130942 0.71 HRH4 (0.66) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9407527 0.70 TSHR (0.52) TSHRANPEPERAP2
SCHEMBL8678455 0.70 TSHR (0.55) RENTP53TSHREBPSIGMAR1
SCHEMBL10667108 0.70 TSHR (0.55) RENTP53TSHREBPSIGMAR1

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-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
US-4708960-A N-(arylpropyl)-azolylureas, and fungicides containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1987-11-24 US disclosed