SCHEMBL11645972

SCHEMBL11645972

CC(C)=CCCC(C)=CCNCCO

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 5/20 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
FDFT1 P37268 2/20 0.54
GGPS1 O95749 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
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
SCHEMBL11645968 1.00 SQLE (0.57) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL16553824 0.89 SQLE (0.59) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL2495182 0.86 KMT2A (0.65) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL31406757 0.84 KMT2A (0.70) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL31406762 0.84 KMT2A (0.70) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL31406758 0.84 KMT2A (0.70) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL28635559 0.83 FDFT1 (0.52) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL15679536 0.83 FDFT1 (0.52) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL15679542 0.81 KMT2A (0.55) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL30884955 0.81 KMT2A (0.55) SQLEKMT2AMEN1CYP3A4ALOX15

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 6 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-3933915-A Insect repellent compositions and process having an N-substituted hydroxyalkyl amine as an active ingredient SCM CORPORATION (US) 1976-01-20 US claimed
WO-2015035234-A2 ANTI-MICROBIAL COMPOUNDS AND COMPOSITIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-12 WO 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