SCHEMBL589811

SCHEMBL589811

CCCCC(CC)CCCCCCCCCCCCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
LMNA P02545 4/20 0.56
TSHR P16473 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 1/20 0.55
CA2 P00918 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 3/20 0.48
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
BCL2L1 Q07817 2/20 0.39

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
SCHEMBL3104073 1.00 ALDH1A1 (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3880861 1.00 ALDH1A1 (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3100332 1.00 ALDH1A1 (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL6444925 0.98 ALDH1A1 (0.65) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL7548099 0.95 LMNA (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL728982 0.95 LMNA (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3084649 0.95 LMNA (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL7209399 0.95 LMNA (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL11607424 0.95 LMNA (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL9407934 0.95 LMNA (0.62) ALDH1A1LMNATSHRMEN1KMT2A

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-8114819-B2 Polymers for oilfield applications BAKER HUGHES INCORPORATED (US) 2012-02-14 US disclosed
US-20100105580-A1 Polymers For Oilfield Applications BJ SERVICES COMPANY (US) 2010-04-29 US disclosed