SCHEMBL24525596

SCHEMBL24525596

CC(O)CNCCNCCNCCNCCNCCNCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 5/20 0.36
ADRB2 P07550 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AMY1A P0DUB6 1/20 0.32
KDM4E B2RXH2 2/20 0.31
RAB9A P51151 1/20 0.31
TYMP P19971 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL15540151 0.88 TDP1 (0.45) TDP1KMT2AALDH1A1ADRB2LMNA
SCHEMBL14663224 0.88 LMNA (0.44) ALDH1A1LMNASMN1; SMN2KDM4ETYMP
SCHEMBL2156658 0.85 KMT2A (0.46) TDP1KMT2AALDH1A1ADRB2LMNA
SCHEMBL14661169 0.85 KMT2A (0.46) TDP1KMT2AALDH1A1ADRB2LMNA
SCHEMBL21691058 0.84 ALDH1A1 (0.36) TDP1KMT2AALDH1A1LMNACYP1A2
SCHEMBL727619 0.83 KMT2A (0.47) TDP1KMT2AALDH1A1ADRB2LMNA
SCHEMBL4630313 0.81 KMT2A (0.41) TDP1KMT2AALDH1A1ADRB2LMNA
SCHEMBL6865618 0.81 KMT2A (0.41) TDP1KMT2AALDH1A1ADRB2LMNA
SCHEMBL25554707 0.80 LMNA (0.33) TDP1ALDH1A1ADRB2LMNACYP2D6
SCHEMBL25554252 0.80 LMNA (0.33) TDP1ALDH1A1ADRB2LMNACYP2D6

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-20220204889-A1 NON-CATIONIC SOFTENERS AND METHODS OF USE ECOLAB USA INC. 2022-06-30 US disclosed
US-20220195341-A1 SOIL REMOVAL ON COTTON VIA TREATMENT IN THE RINSE STEP FOR ENHANCED CLEANING IN THE SUBSEQUENT WASH ECOLAB USA INC. 2022-06-23 US disclosed