SCHEMBL7741863

SCHEMBL7741863

S=C(OC1CCCCC1)c1ccccc1.S=C(Oc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 3/20 0.42
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
ALOX12 P18054 2/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL6057178 0.90 FABP7 (0.44) ELANEPOLBALDH1A1RAB9AFABP7
SCHEMBL7583060 0.79 ELANE (0.42) ELANEALDH1A1KMT2AMAPTPKM
SCHEMBL3087539 0.79 ELANE (0.42) ELANEALDH1A1KMT2AMAPTPKM
SCHEMBL8834811 0.75 ELANE (0.42) ELANEALDH1A1RAB9AKMT2ANPC1
Thiobenzoic Acid SCHEMBL2253615 0.74 ELANE (0.38) ELANEALDH1A1KMT2AMAPTHTT
SCHEMBL1353554 0.73 ALDH1A1 (0.54) ELANEPOLBALDH1A1RAB9AFABP7
SCHEMBL2886329 0.72 ALDH1A1 (0.53) ELANEPOLBALDH1A1RAB9AFABP7
SCHEMBL18430545 0.72 STS (0.57) ELANEPOLBALDH1A1RAB9AKMT2A
SCHEMBL1787764 0.71 ALDH1A1 (0.51) ELANEPOLBALDH1A1RAB9AFABP7
SCHEMBL9002443 0.71 NSD2 (0.51) ELANEPOLBALDH1A1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417298-B1 Process for producing ethylene/olefin interpolymers EASTMAN CHEMICAL COMPANY 2002-07-09 US disclosed