SCHEMBL11501731

SCHEMBL11501731

CC(C)=CCC/C(C)=C/CN(C/C=C(\C)CCC=C(C)C)CCO

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
SQLE Q14534 6/20 0.57
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
CYP3A4 P08684 2/20 0.55
ALOX15 P16050 2/20 0.55
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
UGT1A1 P22309 1/20 0.53
ICMT O60725 1/20 0.47

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
SCHEMBL11501732 1.00 KDM4E (0.59) KDM4ESQLEKMT2AMEN1CYP3A4
Hydrochloric Acid SCHEMBL11501611 0.98 KDM4E (0.57) KDM4ESQLEKMT2AMEN1CYP3A4
Hydrochloric Acid SCHEMBL11501612 0.98 KDM4E (0.57) KDM4ESQLEKMT2AMEN1CYP3A4
SCHEMBL22340856 0.92 KDM4E (0.51) KDM4ESQLEKMT2AMEN1CYP3A4
SCHEMBL3037685 0.81 MAPT (0.35) KDM4ESQLEKMT2AMEN1CYP3A4
SCHEMBL25244004 0.81 KDM4E (0.59) KDM4ESQLEKMT2AMEN1CYP3A4
SCHEMBL635913 0.80 KDM4E (0.62) KDM4ESQLEKMT2AMEN1CYP3A4
SCHEMBL635912 0.80 KDM4E (0.62) KDM4ESQLEKMT2AMEN1CYP3A4
SCHEMBL635911 0.80 KDM4E (0.62) KDM4ESQLEKMT2AMEN1CYP3A4
SCHEMBL27090456 0.79 KMT2A (0.57) KDM4ESQLEKMT2AMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29829-E Insect repellent compositions and process having an N-substituted hydroxyalkyl amine as an active ingredient SCM CORPORATION (US) 1978-11-07 US claimed
US-4174406-A Terpenylaminoalkanol fish toxicants SCM CORPORATION (US) 1979-11-13 US disclosed
US-RE29829-E Insect repellent compositions and process having an N-substituted hydroxyalkyl amine as an active ingredient SCM CORPORATION (US) 1978-11-07 US disclosed
US-3975541-A Insect repellent compositions having an N-substituted hydroxyalkyl amine as an active ingredient SCM CORPORATION (US) 1976-08-17 US disclosed
US-3933915-A Insect repellent compositions and process having an N-substituted hydroxyalkyl amine as an active ingredient SCM CORPORATION (US) 1976-01-20 US disclosed