SCHEMBL7317851

SCHEMBL7317851

O=C(Cl)C1CC1c1ccc(C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
HPGD P15428 1/20 0.44
HAO1 Q9UJM8 1/20 0.44
ACMSD Q8TDX5 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
DEGS1 O15121 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
HRH3 Q9Y5N1 3/20 0.41
SLC9A1 P19634 1/20 0.41

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
SCHEMBL7314337 0.86 FFAR1 (0.54) HDAC8HDAC6HDAC1HPGDHAO1
Hydrochloric Acid SCHEMBL7317863 0.84 FFAR1 (0.53) HDAC8HDAC6HDAC1HPGDHAO1
SCHEMBL1831403 0.80 SLC6A2 (0.56) HDAC8HDAC6HDAC1HPGDHAO1
SCHEMBL1830698 0.80 ALDH1A1 (0.65) HDAC8HDAC6HDAC1HPGDHAO1
SCHEMBL7315840 0.80 CEL (0.38) ACMSDSIGMAR1SLC9A1KMO
SCHEMBL7346168 0.79 OPRL1 (0.38) ACMSDSIGMAR1SLC9A1KMO
SCHEMBL7319301 0.77 HPGD (0.34) HPGDACMSDSMN1; SMN2SIGMAR1HRH3
SCHEMBL10692330 0.77 MAPT (0.46) HAO1SMN1; SMN2
SCHEMBL24890441 0.76 KDM1A (0.50) HRH3SLC9A1
SCHEMBL21624718 0.76 FFAR1 (0.59) HPGDSLC9A1

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
CN-1154483-C Use of amines to produce drugs for preventing tumour cell proliferation ��ŵ��-ʥ�������ɷ����޹�˾ 2004-06-23 CN disclosed
US-6235791-B1 USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE SANOFI-SYNTHELABO (FR) 2001-05-22 US disclosed
CN-1226825-A Use of amines to produce drugs for preventing tumour cell proliferation SANOFI SA (FR) 1999-08-25 CN disclosed