SCHEMBL4369592

SCHEMBL4369592

CCOP(=O)(OCC)OC(=S)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.43
NR1I2 O75469 2/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ACHE P22303 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
ELANE P08246 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
Thiobenzoic Acid SCHEMBL29087097 0.95 SMN1; SMN2 (0.45) SMN1; SMN2POLBNPSR1LMNANR1I2
SCHEMBL9333329 0.81 MEN1 (0.53) SMN1; SMN2POLBNPSR1LMNANR1I2
SCHEMBL28583395 0.78 SMN1; SMN2 (0.47) SMN1; SMN2POLBNPSR1LMNANR1I2
Benzophenone SCHEMBL9307364 0.77 ALDH1A1 (0.54) SMN1; SMN2POLBNPSR1LMNANR1I2
SCHEMBL11561182 0.76 KMT2A (0.57) SMN1; SMN2POLBNPSR1LMNANR1I2
SCHEMBL11561181 0.76 KMT2A (0.57) SMN1; SMN2POLBNPSR1LMNANR1I2
SCHEMBL28654793 0.74 SRC (0.45) SMN1; SMN2POLBLMNAALDH1A1MEN1
SCHEMBL28831737 0.73 MEN1 (0.49) SMN1; SMN2POLBNPSR1LMNANR1I2
SCHEMBL7719434 0.72 POLB (0.49) SMN1; SMN2POLBNPSR1LMNANR1I2
SCHEMBL28531861 0.72 TSHR (0.46) POLBNPSR1LMNANR1I2MEN1

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-7601849-B1 Nonlinear optical compounds and related macrostructures UNIVERSITY OF WASHINGTON (US) 2009-10-13 US disclosed